# 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 = Fe3Mn # 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 5.363303791e+02 nan nan 0.74 4.974517153e+02 nan nan 0.76 4.613079384e+02 nan nan 0.78 4.277145900e+02 5.694354665e+02 nan 0.80 3.964984246e+02 5.315805596e+02 nan 0.82 3.674968198e+02 4.961089216e+02 5.841362882e+02 0.84 3.405572267e+02 4.628782245e+02 5.481434605e+02 0.86 3.155366550e+02 4.317542689e+02 5.142442146e+02 0.88 2.923011866e+02 4.026105070e+02 4.823212692e+02 0.90 2.707255134e+02 3.753275968e+02 4.522637267e+02 0.92 2.506924957e+02 3.497929844e+02 4.239667341e+02 0.94 2.320927364e+02 3.259005140e+02 3.973311610e+02 0.96 2.148241708e+02 3.035500639e+02 3.722632948e+02 0.98 1.987916677e+02 2.826472074e+02 3.486745518e+02 1.00 1.839066432e+02 2.631028955e+02 3.264812030e+02 1.02 1.700866849e+02 2.448331614e+02 3.056041151e+02 1.04 1.572551871e+02 2.277588447e+02 2.859685037e+02 1.06 1.453409972e+02 2.118053335e+02 2.675037013e+02 1.08 1.342780738e+02 1.969023224e+02 2.501429353e+02 1.10 1.240051569e+02 1.829835865e+02 2.338231199e+02 1.12 1.144654508e+02 1.699867676e+02 2.184846568e+02 1.14 1.056063213e+02 1.578531742e+02 2.040712483e+02 1.16 9.737900570e+01 1.465275908e+02 1.905297186e+02 1.18 8.973833824e+01 1.359580982e+02 1.778098460e+02 1.20 8.264249002e+01 1.260959022e+02 1.658642025e+02 1.22 7.605272366e+01 1.168951707e+02 1.546480033e+02 1.24 6.993316303e+01 1.083128776e+02 1.441189631e+02 1.26 6.425057755e+01 1.003086539e+02 1.342371607e+02 1.28 5.897418101e+01 9.284464461e+01 1.249649103e+02 1.30 5.407544433e+01 8.588537199e+01 1.162666404e+02 1.32 4.952792174e+01 7.939760375e+01 1.081087782e+02 1.34 4.530708999e+01 7.335022694e+01 1.004596405e+02 1.36 4.139019965e+01 6.771412682e+01 9.328933077e+01 1.38 3.775613808e+01 6.246207075e+01 8.656964142e+01 1.40 3.438530316e+01 5.756859702e+01 8.027396098e+01 1.42 3.125948719e+01 5.300990856e+01 7.437718677e+01 1.44 2.836177017e+01 4.876377140e+01 6.885564193e+01 1.46 2.567642190e+01 4.480941791e+01 6.368699698e+01 1.48 2.318881195e+01 4.112745480e+01 5.885019560e+01 1.50 2.088532721e+01 3.769977569e+01 5.432538430e+01 1.52 1.875329615e+01 3.450947830e+01 5.009384601e+01 1.54 1.678091932e+01 3.154078609e+01 4.613793713e+01 1.56 1.495720550e+01 2.877897437e+01 4.244102801e+01 1.58 1.327191317e+01 2.621030057e+01 3.898744667e+01 1.60 1.171549654e+01 2.382193875e+01 3.576242548e+01 1.62 1.027905607e+01 2.160191807e+01 3.275205084e+01 1.64 8.954292807e+00 1.953906506e+01 2.994321546e+01 1.66 7.733466351e+00 1.762294967e+01 2.732357333e+01 1.68 6.609356097e+00 1.584383477e+01 2.488149705e+01 1.70 5.575225424e+00 1.419262900e+01 2.260603756e+01 1.72 4.624788615e+00 1.266084278e+01 2.048688602e+01 1.74 3.752180254e+00 1.124054736e+01 1.851433775e+01 1.76 2.951926877e+00 9.924336614e+00 1.667925816e+01 1.78 2.218920698e+00 8.705291553e+00 1.497305057e+01 1.80 1.548395231e+00 7.576947252e+00 1.338762576e+01 1.82 9.359026364e-01 6.533262146e+00 1.191537318e+01 1.84 3.772926780e-01 5.568589467e+00 1.054913377e+01 1.86 -1.313068663e-01 4.677650701e+00 9.282174239e+00 1.88 -5.935084426e-01 3.855510924e+00 8.108162835e+00 1.90 -1.012681713e+00 3.097555874e+00 7.021146351e+00 1.92 -1.391969402e+00 2.399470653e+00 6.015528471e+00 1.94 -1.734302086e+00 1.757219913e+00 5.086049295e+00 1.96 -2.042411988e+00 1.167029445e+00 4.227765998e+00 1.98 -2.318845876e+00 6.253690482e-01 3.436034563e+00 2.00 -2.565977112e+00 1.289365945e-01 2.706492531e+00 2.02 -2.786016907e+00 -3.253568071e-01 2.035042714e+00 2.04 -2.981024862e+00 -7.404006217e-01 1.417837810e+00 2.06 -3.152918813e+00 -1.118897756e+00 8.512658912e-01 2.08 -3.303484054e+00 -1.463376550e+00 3.319366877e-01 2.10 -3.434381962e+00 -1.776201962e+00 -1.433313445e-01 2.12 -3.547158069e+00 -2.059585994e+00 -5.775232368e-01 2.14 -3.643249627e+00 -2.315597432e+00 -9.734390311e-01 2.16 -3.723992679e+00 -2.546170745e+00 -1.333704653e+00 2.18 -3.790628682e+00 -2.753111340e+00 -1.660782173e+00 2.20 -3.844310717e+00 -2.938106346e+00 -1.956979482e+00 2.22 -3.886109285e+00 -3.102755551e+00 -2.224459420e+00 2.24 -3.917017749e+00 -3.248527164e+00 -2.465248392e+00 2.26 -3.937957419e+00 -3.376800806e+00 -2.681244483e+00 2.28 -3.949782314e+00 -3.488866552e+00 -2.874225114e+00 2.30 -3.953283613e+00 -3.585929395e+00 -3.045854268e+00 2.32 -3.949193830e+00 -3.669114576e+00 -3.197689287e+00 2.34 -3.938190707e+00 -3.739472577e+00 -3.331187294e+00 2.36 -3.920900866e+00 -3.797983794e+00 -3.447711234e+00 2.38 -3.897903212e+00 -3.845562928e+00 -3.548535574e+00 2.40 -3.869732127e+00 -3.883063088e+00 -3.634851670e+00 2.42 -3.836880441e+00 -3.911279646e+00 -3.707772825e+00 2.44 -3.799802223e+00 -3.930953848e+00 -3.768339051e+00 2.46 -3.758915375e+00 -3.942776200e+00 -3.817521561e+00 2.48 -3.714604063e+00 -3.947389646e+00 -3.856226516e+00 2.50 -3.667220984e+00 -3.945392538e+00 -3.885034417e+00 2.52 -3.617089487e+00 -3.937341437e+00 -3.902991159e+00 2.54 -3.564505549e+00 -3.923753720e+00 -3.910031194e+00 2.56 -3.509739628e+00 -3.905110043e+00 -3.914189030e+00 2.58 -3.453038395e+00 -3.881856631e+00 -3.912224820e+00 2.60 -3.394626349e+00 -3.854407441e+00 -3.904079105e+00 2.62 -3.334707346e+00 -3.823146175e+00 -3.890305027e+00 2.64 -3.273466022e+00 -3.788428174e+00 -3.871417198e+00 2.66 -3.211069148e+00 -3.750582192e+00 -3.847894142e+00 2.68 -3.147666910e+00 -3.709912050e+00 -3.820180588e+00 2.70 -3.083394126e+00 -3.666698194e+00 -3.788689624e+00 2.72 -3.018371423e+00 -3.621199146e+00 -3.753804726e+00 2.74 -2.952706371e+00 -3.573652868e+00 -3.715881666e+00 2.76 -2.886494601e+00 -3.524278038e+00 -3.675250296e+00 2.78 -2.819820910e+00 -3.473275243e+00 -3.632216235e+00 2.80 -2.752760373e+00 -3.420828102e+00 -3.587062446e+00 2.82 -2.685379477e+00 -3.367104318e+00 -3.540050721e+00 2.84 -2.617737296e+00 -3.312256668e+00 -3.491423074e+00 2.86 -2.549886029e+00 -3.256423941e+00 -3.441403049e+00 2.88 -2.475742841e+00 -3.199731823e+00 -3.390196945e+00 2.90 -2.340703125e+00 -3.142293745e+00 -3.337994972e+00 2.92 -2.054608850e+00 -3.084211691e+00 -3.284972327e+00 2.94 -1.750771968e+00 -3.025576990e+00 -3.231290211e+00 2.96 -1.712198882e+00 -2.966471084e+00 -3.177096778e+00 2.98 -1.674430947e+00 -2.906966299e+00 -3.122528026e+00 3.00 -1.637479372e+00 -2.847126616e+00 -3.067708633e+00 3.02 -1.601351963e+00 -2.787008467e+00 -3.012752737e+00 3.04 -1.566053252e+00 -2.726552512e+00 -2.957764675e+00 3.06 -1.531584607e+00 -2.654245589e+00 -2.902839662e+00 3.08 -1.497944323e+00 -2.512439050e+00 -2.848064441e+00 3.10 -1.465127693e+00 -2.228397743e+00 -2.793517882e+00 3.12 -1.433127074e+00 -1.979793639e+00 -2.739271544e+00 3.14 -1.401801505e+00 -1.923907573e+00 -2.685390205e+00 3.16 -1.359875717e+00 -1.867943894e+00 -2.631932354e+00 3.18 -1.254909251e+00 -1.812011127e+00 -2.578950651e+00 3.20 -1.000979780e+00 -1.756233465e+00 -2.526492360e+00 3.22 -6.586695754e-01 -1.700751044e+00 -2.474599749e+00 3.24 -6.446589763e-01 -1.645719270e+00 -2.423310471e+00 3.26 -6.308605171e-01 -1.591307030e+00 -2.372657908e+00 3.28 -6.172787668e-01 -1.537693707e+00 -2.322671506e+00 3.30 -6.039171488e-01 -1.485064977e+00 -2.273377079e+00 3.32 -5.907780916e-01 -1.433607521e+00 -2.224797092e+00 3.34 -5.778631715e-01 -1.383502900e+00 -2.176950929e+00 3.36 -5.651732440e-01 -1.334920955e+00 -2.129855144e+00 3.38 -5.527085591e-01 -1.288013209e+00 -2.083523686e+00 3.40 -5.404688604e-01 -1.242906793e+00 -2.037968120e+00 3.42 -5.284534684e-01 -1.199699396e+00 -1.993197824e+00 3.44 -5.166613482e-01 -1.158455690e+00 -1.949220179e+00 3.46 -5.050911653e-01 -1.119205524e+00 -1.906040736e+00 3.48 -4.937413299e-01 -1.081944024e+00 -1.863663383e+00 3.50 -4.826100329e-01 -1.046633562e+00 -1.822090493e+00 3.52 -4.705582085e-01 -1.010440597e+00 -1.777100036e+00 3.54 -4.432310361e-01 -9.389592092e-01 -1.675342572e+00 3.56 -3.641705605e-01 -7.496609803e-01 -1.380566460e+00 3.58 -1.920820518e-01 -3.700643228e-01 -7.339022330e-01 3.60 -4.978988565e-23 -2.113839440e-22 -2.184889229e-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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