# 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 = 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 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 6.165558145e+02 nan nan 0.92 5.640516122e+02 nan nan 0.94 5.266303729e+02 nan nan 0.96 4.903698325e+02 nan nan 0.98 4.562617510e+02 5.557180008e+02 nan 1.00 4.244660262e+02 5.144294509e+02 nan 1.02 3.949402837e+02 4.765595932e+02 7.432010971e+02 1.04 3.675727399e+02 4.417904148e+02 6.906081976e+02 1.06 3.422271214e+02 4.098371829e+02 6.422099954e+02 1.08 3.187612070e+02 3.804445264e+02 5.976320584e+02 1.10 2.970185106e+02 3.533830282e+02 5.565375481e+02 1.12 2.766844014e+02 3.284462624e+02 5.186226930e+02 1.14 2.575968310e+02 3.054482139e+02 4.836129902e+02 1.16 2.396758650e+02 2.842210165e+02 4.512599729e+02 1.18 2.228629473e+02 2.646129745e+02 4.213384389e+02 1.20 2.071112962e+02 2.464868252e+02 3.936440471e+02 1.22 1.923796137e+02 2.297182065e+02 3.679912100e+02 1.24 1.786281956e+02 2.141943090e+02 3.442112401e+02 1.26 1.658167355e+02 1.998126821e+02 3.221507018e+02 1.28 1.539032936e+02 1.864801773e+02 3.016699412e+02 1.30 1.428440320e+02 1.741120113e+02 2.826417711e+02 1.32 1.325934285e+02 1.626309321e+02 2.649502871e+02 1.34 1.231043775e+02 1.519654542e+02 2.484882674e+02 1.36 1.142906172e+02 1.419473710e+02 2.330034764e+02 1.38 1.060773384e+02 1.324444123e+02 2.182976707e+02 1.40 9.842342099e+01 1.234173895e+02 2.043123310e+02 1.42 9.129265158e+01 1.148415352e+02 1.910106766e+02 1.44 8.465239561e+01 1.067013370e+02 1.783699204e+02 1.46 7.847261871e+01 9.898660152e+01 1.663753684e+02 1.48 7.272523538e+01 9.168967763e+01 1.550162596e+02 1.50 6.738369122e+01 8.480356455e+01 1.442829381e+02 1.52 6.242270642e+01 7.832068250e+01 1.341650275e+02 1.54 5.781812519e+01 7.223213056e+01 1.246503473e+02 1.56 5.354684476e+01 6.652729164e+01 1.157243706e+02 1.58 4.958678931e+01 6.119367103e+01 1.073700521e+02 1.60 4.591690445e+01 5.621687488e+01 9.956791209e+01 1.62 4.251716333e+01 5.158064064e+01 9.229630558e+01 1.64 3.936857583e+01 4.726682146e+01 8.553179309e+01 1.66 3.645319540e+01 4.325517385e+01 7.924955885e+01 1.68 3.375412021e+01 3.952262724e+01 7.342383844e+01 1.70 3.148532655e+01 3.604112755e+01 6.802833184e+01 1.72 3.168535555e+01 3.277054696e+01 6.303658474e+01 1.74 3.334314574e+01 2.962372777e+01 5.842232832e+01 1.76 3.523736738e+01 2.585264486e+01 5.415977244e+01 1.78 3.669821742e+01 2.407063585e+01 5.022385028e+01 1.80 3.741778360e+01 2.244668111e+01 4.659041591e+01 1.82 3.731480318e+01 2.092067133e+01 4.323639688e+01 1.84 3.644079493e+01 1.948846644e+01 4.013990589e+01 1.86 3.491666867e+01 1.814735089e+01 3.728031576e+01 1.88 3.289132267e+01 1.689363847e+01 3.463830017e+01 1.90 3.051586347e+01 1.585191154e+01 3.238942210e+01 1.92 2.792870385e+01 1.616163491e+01 3.223351624e+01 1.94 2.524803962e+01 1.734025860e+01 3.343890819e+01 1.96 2.256916533e+01 1.874688307e+01 3.503759039e+01 1.98 1.996477727e+01 1.999834073e+01 3.644910751e+01 2.00 1.748700859e+01 2.089027015e+01 3.736199060e+01 2.02 1.517032971e+01 2.133800949e+01 3.764496216e+01 2.04 1.303473470e+01 2.133359249e+01 3.728232513e+01 2.06 1.108885480e+01 2.091506564e+01 3.632785558e+01 2.08 9.332791778e+00 2.014506662e+01 3.487260356e+01 2.10 7.760568065e+00 1.909631657e+01 3.302307698e+01 2.12 6.362160147e+00 1.784219349e+01 3.088705686e+01 2.14 5.125125290e+00 1.645097017e+01 2.856491661e+01 2.16 4.035868167e+00 1.498264812e+01 2.614484142e+01 2.18 3.080571275e+00 1.348757568e+01 2.370072855e+01 2.20 2.245837440e+00 1.200624429e+01 2.129185896e+01 2.22 1.519119756e+00 1.056979528e+01 1.896363763e+01 2.24 8.889664034e-01 9.200933509e+00 1.674894704e+01 2.26 3.450762034e-01 7.915096669e+00 1.466988635e+01 2.28 -1.218433648e-01 6.721689086e+00 1.273960909e+01 2.30 -5.201895490e-01 5.625272549e+00 1.096409813e+01 2.32 -8.575452454e-01 4.626656476e+00 9.343790943e+00 2.34 -1.140752703e+00 3.723855221e+00 7.875006810e+00 2.36 -1.375980849e+00 2.912902947e+00 6.551161324e+00 2.38 -1.568786765e+00 2.188526420e+00 5.363768735e+00 2.40 -1.724171811e+00 1.544684965e+00 4.303245757e+00 2.42 -1.846632838e+00 9.749916936e-01 3.359537975e+00 2.44 -1.940208925e+00 4.730312264e-01 2.522591582e+00 2.46 -2.008523992e+00 3.259033164e-02 1.782695011e+00 2.48 -2.054825665e+00 -3.521834015e-01 1.130713073e+00 2.50 -2.082020699e+00 -6.866819318e-01 5.582329442e-01 2.52 -2.092707248e+00 -9.758071109e-01 5.760554364e-02 2.54 -2.089204266e+00 -1.224024888e+00 -3.781385576e-01 2.56 -2.073578274e+00 -1.435414177e+00 -7.553649367e-01 2.58 -2.047667721e+00 -1.613698397e+00 -1.079884879e+00 2.60 -2.013105153e+00 -1.762274289e+00 -1.357000616e+00 2.62 -1.971337258e+00 -1.884238138e+00 -1.591546490e+00 2.64 -1.923640360e+00 -1.982402747e+00 -1.787916037e+00 2.66 -1.871137464e+00 -2.059321087e+00 -1.950098953e+00 2.68 -1.814817005e+00 -2.117316788e+00 -2.081728149e+00 2.70 -1.755546605e+00 -2.158503443e+00 -2.186109917e+00 2.72 -1.694085374e+00 -2.184801889e+00 -2.266250926e+00 2.74 -1.631095071e+00 -2.197956136e+00 -2.324883097e+00 2.76 -1.567150217e+00 -2.199548078e+00 -2.364486557e+00 2.78 -1.502747262e+00 -2.191011026e+00 -2.387310725e+00 2.80 -1.438312893e+00 -2.173642183e+00 -2.395393756e+00 2.82 -1.374211545e+00 -2.148614152e+00 -2.390580452e+00 2.84 -1.310752199e+00 -2.116985503e+00 -2.374538693e+00 2.86 -1.248194530e+00 -2.079710524e+00 -2.348774607e+00 2.88 -1.186754454e+00 -2.037648188e+00 -2.314646495e+00 2.90 -1.126609146e+00 -1.991570392e+00 -2.273377625e+00 2.92 -1.067901557e+00 -1.942169549e+00 -2.226068017e+00 2.94 -1.010744489e+00 -1.890065560e+00 -2.173705254e+00 2.96 -9.552242691e-01 -1.835812215e+00 -2.117174406e+00 2.98 -9.014040521e-01 -1.779903091e+00 -2.057267163e+00 3.00 -8.493267896e-01 -1.722776948e+00 -1.994690202e+00 3.02 -7.990178990e-01 -1.664822693e+00 -1.930072859e+00 3.04 -7.504876569e-01 -1.606383939e+00 -1.863974191e+00 3.06 -7.037333451e-01 -1.547763174e+00 -1.796889414e+00 3.08 -6.587411703e-01 -1.489225595e+00 -1.729255832e+00 3.10 -6.154879805e-01 -1.431002615e+00 -1.661458255e+00 3.12 -5.739427965e-01 -1.373295075e+00 -1.593833956e+00 3.14 -5.340681754e-01 -1.316276190e+00 -1.526677217e+00 3.16 -4.958214230e-01 -1.260094240e+00 -1.460243474e+00 3.18 -4.591556676e-01 -1.204875030e+00 -1.394753118e+00 3.20 -4.240208100e-01 -1.150724146e+00 -1.330394956e+00 3.22 -3.903643594e-01 -1.097729010e+00 -1.267329380e+00 3.24 -3.581321675e-01 -1.045960755e+00 -1.205691250e+00 3.26 -3.272690684e-01 -9.954759399e-01 -1.145592526e+00 3.28 -2.977194350e-01 -9.463181130e-01 -1.087124665e+00 3.30 -2.694276574e-01 -8.985192333e-01 -1.030360806e+00 3.32 -2.423385525e-01 -8.521009679e-01 -9.753577483e-01 3.34 -2.163977103e-01 -8.070758690e-01 -9.221577592e-01 3.36 -1.915517826e-01 -7.634484467e-01 -8.707902076e-01 3.38 -1.677487206e-01 -7.212161407e-01 -8.212730486e-01 3.40 -1.449379654e-01 -6.803702017e-01 -7.736141672e-01 3.42 -1.230705973e-01 -6.408964906e-01 -7.278125946e-01 3.44 -1.020994472e-01 -6.027761998e-01 -6.838596065e-01 3.46 -8.197917489e-02 -5.659865045e-01 -6.417397149e-01 3.48 -6.266631824e-02 -5.305011497e-01 -6.014496233e-01 3.50 -4.411931628e-02 -4.962909764e-01 -5.634088819e-01 3.52 -2.629851012e-02 -4.633243935e-01 -5.286656301e-01 3.54 -9.166124480e-03 -4.315677981e-01 -4.952450728e-01 3.56 7.313767119e-03 -4.009859481e-01 -4.618466182e-01 3.58 2.317529096e-02 -3.715422915e-01 -4.300942331e-01 3.60 3.845083317e-02 -3.431992529e-01 -3.999448243e-01 3.62 5.317110896e-02 -3.159184817e-01 -3.713536416e-01 3.64 6.736523953e-02 -2.896610628e-01 -3.442746459e-01 3.66 8.106083464e-02 -2.643876910e-01 -3.186608373e-01 3.68 9.428408002e-02 -2.400588105e-01 -2.944645458e-01 3.70 1.070598283e-01 -2.166347196e-01 -2.716376887e-01 3.72 1.194116928e-01 -1.940756394e-01 -2.501319986e-01 3.74 1.313621441e-01 -1.723417456e-01 -2.298992249e-01 3.76 1.429326089e-01 -1.513931602e-01 -2.108913106e-01 3.78 1.541435718e-01 -1.311898990e-01 -1.930605487e-01 3.80 1.650146803e-01 -1.116917674e-01 -1.763597190e-01 3.82 1.755648550e-01 -9.285819545e-02 -1.607422079e-01 3.84 1.858124056e-01 -7.464799564e-02 -1.461621126e-01 3.86 1.957751569e-01 -5.701902392e-02 -1.325743326e-01 3.88 2.054705864e-01 -3.992770969e-02 -1.199346474e-01 3.90 2.149159798e-01 -2.332840689e-02 -1.081997849e-01 3.92 2.241286111e-01 -7.172490463e-03 -9.732747804e-02 3.94 2.331259563e-01 8.592920196e-03 -8.727651417e-02 3.96 2.419259548e-01 2.402680537e-02 -7.800677494e-02 3.98 2.505473379e-01 3.919698452e-02 -6.947926926e-02 4.00 2.590100551e-01 5.418433189e-02 -6.165615963e-02 4.02 2.674174517e-01 6.908955390e-02 -5.450078180e-02 4.04 2.774843957e-01 8.404469565e-02 -4.797765898e-02 4.06 2.951282788e-01 9.923408787e-02 -4.205251081e-02 4.08 3.217949788e-01 1.149361646e-01 -3.669225722e-02 4.10 3.647981215e-01 1.316184067e-01 -3.186501812e-02 4.12 4.207859997e-01 1.501993671e-01 -2.754010889e-02 4.14 4.247110354e-01 1.730722214e-01 -2.368803197e-02 4.16 4.262885722e-01 2.161073755e-01 -2.028046540e-02 4.18 4.266498299e-01 2.547106755e-01 -1.729024787e-02 4.20 4.262101669e-01 2.617923586e-01 -1.469136122e-02 4.22 4.251840541e-01 2.670739393e-01 -1.245891047e-02 4.24 4.237022612e-01 2.713098067e-01 -1.056910151e-02 4.26 4.218529438e-01 2.747974788e-01 -8.999216916e-03 4.28 4.196996445e-01 2.776973510e-01 -7.727590263e-03 4.30 4.172903797e-01 2.801110114e-01 -6.733578742e-03 4.32 4.146627038e-01 2.821095734e-01 -5.997534900e-03 4.34 4.118467478e-01 2.837463128e-01 -5.500777310e-03 4.36 4.088671488e-01 2.850631230e-01 -5.225560449e-03 4.38 4.057443303e-01 2.860941454e-01 -5.155044261e-03 4.40 4.013438616e-01 2.868679666e-01 -5.273263182e-03 4.42 3.747397010e-01 2.874090254e-01 -5.565095046e-03 4.44 1.676990224e-01 2.877385578e-01 -6.016230086e-03 4.46 -1.356136441e-01 2.878752561e-01 -6.613139858e-03 4.48 -2.240846992e-01 2.878357444e-01 -7.343046544e-03 4.50 -2.188076872e-01 2.876349317e-01 -8.193892602e-03 4.52 -2.136415193e-01 2.872862798e-01 -9.154310745e-03 4.54 -2.085844771e-01 2.868020125e-01 -1.021359459e-02 4.56 -2.036348369e-01 2.861932802e-01 -1.136166982e-02 4.58 -1.987908715e-01 2.854702938e-01 -1.258906601e-02 4.60 -1.940508526e-01 2.846424336e-01 -1.388688920e-02 4.62 -1.894130528e-01 2.837183398e-01 -1.524679516e-02 4.64 -1.848757475e-01 2.827059892e-01 -1.666096348e-02 4.66 -1.804372167e-01 2.816127595e-01 -1.812207247e-02 4.68 -1.760957467e-01 2.804454852e-01 -1.962327478e-02 4.70 -1.718496315e-01 2.792105060e-01 -2.115817401e-02 4.72 -1.676971740e-01 2.779137087e-01 -2.272080199e-02 4.74 -1.636366877e-01 2.765605649e-01 -2.430559704e-02 4.76 -1.596664977e-01 2.751561635e-01 -2.590738293e-02 4.78 -1.557849418e-01 2.737052403e-01 -2.752134877e-02 4.80 -1.519903714e-01 2.722122047e-01 -2.914302964e-02 4.82 -1.482811526e-01 2.706811633e-01 -3.076828807e-02 4.84 -1.446556668e-01 2.691159417e-01 -3.239329626e-02 4.86 -1.411123118e-01 2.675201039e-01 -3.401451907e-02 4.88 -1.376495023e-01 2.658969705e-01 -3.562869781e-02 4.90 -1.342656703e-01 2.642496353e-01 -3.723283471e-02 4.92 -1.306604468e-01 2.616914659e-01 -3.936055410e-02 4.94 -1.230645567e-01 2.469616805e-01 -4.845768223e-02 4.96 -1.017880089e-01 1.932819959e-01 -7.454076289e-02 4.98 -5.488909404e-02 8.454300579e-02 -8.918570291e-02 5.00 -6.900145678e-24 -2.981131139e-23 -3.148671346e-23 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 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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