# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I--Fe-Ni-Cr # implementation = EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 # composition = FeNi3 # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 2.557825603e+03 nan nan 1.72 1.843039912e+03 nan nan 1.74 1.319714237e+03 nan nan 1.76 9.383187925e+02 nan nan 1.78 6.618048137e+02 nan nan 1.80 4.625014845e+02 nan nan 1.82 3.197888191e+02 nan nan 1.84 2.183487369e+02 nan nan 1.86 1.468408828e+02 2.352666185e+03 nan 1.88 9.690408780e+01 1.739806271e+03 nan 1.90 6.243810953e+01 1.279762056e+03 2.845453659e+03 1.92 3.895931396e+01 9.357375792e+02 2.128147992e+03 1.94 2.318919777e+01 6.795650854e+02 1.584120371e+03 1.96 1.277011662e+01 4.897203309e+02 1.172906932e+03 1.98 6.020072250e+00 3.497865014e+02 8.632651544e+02 2.00 1.750242324e+00 2.472678573e+02 6.311026375e+02 2.02 -8.707881609e-01 1.726750743e+02 4.578672391e+02 2.04 -2.417535672e+00 1.188210972e+02 3.292964749e+02 2.06 -3.281671078e+00 8.028052811e+01 2.344486500e+02 2.08 -3.726521651e+00 5.297382566e+01 1.649511426e+02 2.10 -3.926990308e+00 3.384714408e+01 1.144156671e+02 2.12 -3.998893067e+00 2.064077477e+01 7.800612773e+01 2.14 -4.013978814e+00 1.167121663e+01 5.204264084e+01 2.16 -4.011810136e+00 5.684207339e+00 3.372372457e+01 2.18 -4.011744264e+00 1.766907431e+00 2.094913773e+01 2.20 -4.020824093e+00 -7.378971651e-01 1.215743227e+01 2.22 -4.038227451e+00 -2.297260237e+00 6.197097384e+00 2.24 -4.052095000e+00 -3.237853187e+00 2.226057433e+00 2.26 -4.052962311e+00 -3.783711424e+00 -3.658669324e-01 2.28 -4.056141553e+00 -4.084782701e+00 -2.016656655e+00 2.30 -4.071283713e+00 -4.238466431e+00 -3.037422877e+00 2.32 -4.086495741e+00 -4.305827936e+00 -3.645833546e+00 2.34 -4.090021681e+00 -4.323758771e+00 -3.991555486e+00 2.36 -4.077209034e+00 -4.313716645e+00 -4.175472081e+00 2.38 -4.048847329e+00 -4.287702188e+00 -4.263932421e+00 2.40 -4.008668003e+00 -4.252626307e+00 -4.299194817e+00 2.42 -3.960208304e+00 -4.211925340e+00 -4.307017340e+00 2.44 -3.906627578e+00 -4.160731392e+00 -4.302403477e+00 2.46 -3.851015912e+00 -4.093275870e+00 -4.293713875e+00 2.48 -3.796213866e+00 -4.022808150e+00 -4.285122142e+00 2.50 -3.744504316e+00 -3.965812317e+00 -4.275216073e+00 2.52 -3.696490930e+00 -3.922277150e+00 -4.255665905e+00 2.54 -3.650887579e+00 -3.886604557e+00 -4.227377594e+00 2.56 -3.606306352e+00 -3.855753026e+00 -4.205624006e+00 2.58 -3.561728182e+00 -3.828792110e+00 -4.196045940e+00 2.60 -3.516514631e+00 -3.806236599e+00 -4.189538961e+00 2.62 -3.470386419e+00 -3.788470018e+00 -4.176529886e+00 2.64 -3.423567055e+00 -3.774452884e+00 -4.151684812e+00 2.66 -3.376844181e+00 -3.762180371e+00 -4.113219240e+00 2.68 -3.331610403e+00 -3.749294936e+00 -4.062157535e+00 2.70 -3.289346215e+00 -3.733599401e+00 -4.000633030e+00 2.72 -3.250864364e+00 -3.713669338e+00 -3.931052115e+00 2.74 -3.216334352e+00 -3.689142593e+00 -3.856267517e+00 2.76 -3.185435781e+00 -3.660565856e+00 -3.779798227e+00 2.78 -3.157485713e+00 -3.629063871e+00 -3.705910000e+00 2.80 -3.131591886e+00 -3.595825825e+00 -3.639116935e+00 2.82 -3.106917664e+00 -3.561458640e+00 -3.581902297e+00 2.84 -3.082780109e+00 -3.526125561e+00 -3.534653740e+00 2.86 -3.058650101e+00 -3.490134211e+00 -3.496930153e+00 2.88 -3.034142885e+00 -3.453917243e+00 -3.467773160e+00 2.90 -3.009002434e+00 -3.417932795e+00 -3.445868789e+00 2.92 -2.983082198e+00 -3.382581280e+00 -3.429658766e+00 2.94 -2.956325259e+00 -3.348134177e+00 -3.417455759e+00 2.96 -2.928747284e+00 -3.314690565e+00 -3.407557850e+00 2.98 -2.900425973e+00 -3.282291637e+00 -3.398347843e+00 3.00 -2.871501033e+00 -3.251020745e+00 -3.388403612e+00 3.02 -2.842184007e+00 -3.220974020e+00 -3.376612038e+00 3.04 -2.812726252e+00 -3.192198472e+00 -3.362180480e+00 3.06 -2.783359663e+00 -3.164635364e+00 -3.344574803e+00 3.08 -2.754270833e+00 -3.138122524e+00 -3.323504917e+00 3.10 -2.725583765e+00 -3.112424879e+00 -3.298907500e+00 3.12 -2.697348870e+00 -3.087287716e+00 -3.270920539e+00 3.14 -2.669539877e+00 -3.062510732e+00 -3.239851772e+00 3.16 -2.642060366e+00 -3.038004443e+00 -3.206143004e+00 3.18 -2.614761657e+00 -3.013705862e+00 -3.170332116e+00 3.20 -2.587473899e+00 -2.989524264e+00 -3.133014415e+00 3.22 -2.560051232e+00 -2.965348294e+00 -3.094804855e+00 3.24 -2.532393066e+00 -2.941055885e+00 -3.056302495e+00 3.26 -2.504402601e+00 -2.916524218e+00 -3.018058402e+00 3.28 -2.475981106e+00 -2.891639067e+00 -2.980548088e+00 3.30 -2.447038149e+00 -2.866303006e+00 -2.944149388e+00 3.32 -2.417502164e+00 -2.840442032e+00 -2.909126569e+00 3.34 -2.387330423e+00 -2.814010294e+00 -2.875621291e+00 3.36 -2.356506518e+00 -2.786992705e+00 -2.843650901e+00 3.38 -2.325016297e+00 -2.759405326e+00 -2.813114398e+00 3.40 -2.292840277e+00 -2.731293520e+00 -2.783806287e+00 3.42 -2.259954764e+00 -2.702727983e+00 -2.755449736e+00 3.44 -2.226335866e+00 -2.673798861e+00 -2.727780628e+00 3.46 -2.191967188e+00 -2.644608264e+00 -2.700607772e+00 3.48 -2.156851529e+00 -2.615261609e+00 -2.673850015e+00 3.50 -2.121014140e+00 -2.585858329e+00 -2.647516074e+00 3.52 -2.084491532e+00 -2.556482567e+00 -2.621623079e+00 3.54 -2.047328717e+00 -2.527194622e+00 -2.596177304e+00 3.56 -2.009578633e+00 -2.498023985e+00 -2.571170588e+00 3.58 -1.971301409e+00 -2.468964934e+00 -2.546578467e+00 3.60 -1.932563493e+00 -2.439975747e+00 -2.522359740e+00 3.62 -1.893436654e+00 -2.410982710e+00 -2.498457209e+00 3.64 -1.853996875e+00 -2.381890200e+00 -2.474799348e+00 3.66 -1.814323150e+00 -2.352598233e+00 -2.451302695e+00 3.68 -1.774496217e+00 -2.323028939e+00 -2.427874743e+00 3.70 -1.734597237e+00 -2.293151345e+00 -2.404417166e+00 3.72 -1.694706458e+00 -2.262955103e+00 -2.380829189e+00 3.74 -1.654901883e+00 -2.232427255e+00 -2.357010972e+00 3.76 -1.615257967e+00 -2.201551231e+00 -2.332866855e+00 3.78 -1.575844397e+00 -2.170306848e+00 -2.308308361e+00 3.80 -1.536724956e+00 -2.138670427e+00 -2.283256852e+00 3.82 -1.497956544e+00 -2.106615036e+00 -2.257645765e+00 3.84 -1.459588363e+00 -2.074110896e+00 -2.231422344e+00 3.86 -1.421661327e+00 -2.041125974e+00 -2.204548854e+00 3.88 -1.384207735e+00 -2.007626801e+00 -2.177003213e+00 3.90 -1.347251250e+00 -1.973579533e+00 -2.148779057e+00 3.92 -1.310807232e+00 -1.938951313e+00 -2.119885235e+00 3.94 -1.274882847e+00 -1.903711945e+00 -2.090344755e+00 3.96 -1.239471821e+00 -1.867835942e+00 -2.060193223e+00 3.98 -1.204549205e+00 -1.831304973e+00 -2.029476842e+00 4.00 -1.170071537e+00 -1.794110759e+00 -1.998250034e+00 4.02 -1.135978235e+00 -1.756258460e+00 -1.966572789e+00 4.04 -1.102193821e+00 -1.717770602e+00 -1.934507852e+00 4.06 -1.068630974e+00 -1.678691593e+00 -1.902117861e+00 4.08 -1.035194438e+00 -1.639092871e+00 -1.869462613e+00 4.10 -1.001785807e+00 -1.599078747e+00 -1.836596583e+00 4.12 -9.683091969e-01 -1.558792997e+00 -1.803566916e+00 4.14 -9.346778610e-01 -1.518426242e+00 -1.770412057e+00 4.16 -9.008217553e-01 -1.478224197e+00 -1.737161255e+00 4.18 -8.666961113e-01 -1.438484802e+00 -1.703835176e+00 4.20 -8.322910561e-01 -1.399482469e+00 -1.670447857e+00 4.22 -7.976423111e-01 -1.361418026e+00 -1.637010290e+00 4.24 -7.628430488e-01 -1.324426263e+00 -1.603535915e+00 4.26 -7.280569385e-01 -1.288585908e+00 -1.570047638e+00 4.28 -6.935324525e-01 -1.253928606e+00 -1.536575422e+00 4.30 -6.596183469e-01 -1.220446955e+00 -1.503145153e+00 4.32 -6.267443973e-01 -1.188101684e+00 -1.469776388e+00 4.34 -5.952788066e-01 -1.156828026e+00 -1.436481827e+00 4.36 -5.654722462e-01 -1.126541368e+00 -1.403266914e+00 4.38 -5.374756669e-01 -1.097142228e+00 -1.370129569e+00 4.40 -5.113583115e-01 -1.068520631e+00 -1.337060078e+00 4.42 -4.871237226e-01 -1.040559959e+00 -1.304041172e+00 4.44 -4.647238149e-01 -1.013140314e+00 -1.271048303e+00 4.46 -4.440712761e-01 -9.861414814e-01 -1.238050144e+00 4.48 -4.250502934e-01 -9.594455357e-01 -1.205009347e+00 4.50 -4.075257566e-01 -9.329391651e-01 -1.171883572e+00 4.52 -3.913510377e-01 -9.065157647e-01 -1.138626814e+00 4.54 -3.763744241e-01 -8.800773568e-01 -1.105191067e+00 4.56 -3.624443175e-01 -8.535364076e-01 -1.071528331e+00 4.58 -3.494141363e-01 -8.268175821e-01 -1.037593018e+00 4.60 -3.371445838e-01 -7.998595056e-01 -1.003344757e+00 4.62 -3.255059470e-01 -7.726165843e-01 -9.687516511e-01 4.64 -3.143823544e-01 -7.450609375e-01 -9.337940043e-01 4.66 -3.036657919e-01 -7.171844925e-01 -8.984685591e-01 4.68 -2.932689024e-01 -6.890013064e-01 -8.627932684e-01 4.70 -2.830829755e-01 -6.605501589e-01 -8.268126451e-01 4.72 -2.730254134e-01 -6.318974600e-01 -7.906037121e-01 4.74 -2.631981242e-01 -6.031405505e-01 -7.542826002e-01 4.76 -2.536757177e-01 -5.744113854e-01 -7.180118229e-01 4.78 -2.443726758e-01 -5.458807615e-01 -6.820082714e-01 4.80 -2.349066116e-01 -5.177630009e-01 -6.465519524e-01 4.82 -2.250909841e-01 -4.903161007e-01 -6.119878628e-01 4.84 -2.148801395e-01 -4.637916353e-01 -5.786523857e-01 4.86 -2.043027317e-01 -4.383855475e-01 -5.468008366e-01 4.88 -1.935659492e-01 -4.142399687e-01 -5.166115500e-01 4.90 -1.829100135e-01 -3.914496630e-01 -4.881965797e-01 4.92 -1.723560333e-01 -3.700679485e-01 -4.616115978e-01 4.94 -1.621452126e-01 -3.501122236e-01 -4.368649065e-01 4.96 -1.524878762e-01 -3.315691681e-01 -4.139256140e-01 4.98 -1.435131803e-01 -3.143994546e-01 -3.927310522e-01 5.00 -1.353572183e-01 -2.985421211e-01 -3.731934614e-01 5.02 -1.279715327e-01 -2.839188541e-01 -3.552059650e-01 5.04 -1.209758219e-01 -2.704379639e-01 -3.386478530e-01 5.06 -1.141222173e-01 -2.579975944e-01 -3.233893574e-01 5.08 -1.072726601e-01 -2.464903649e-01 -3.092960027e-01 5.10 -1.003658469e-01 -2.358035729e-01 -2.962318421e-01 5.12 -9.339174897e-02 -2.258302458e-01 -2.840622213e-01 5.14 -8.636381854e-02 -2.164543709e-01 -2.726576783e-01 5.16 -7.931107652e-02 -2.075815876e-01 -2.618950178e-01 5.18 -7.241573268e-02 -1.990911421e-01 -2.516571645e-01 5.20 -6.582047948e-02 -1.907595674e-01 -2.418420810e-01 5.22 -5.961144653e-02 -1.827143803e-01 -2.323480577e-01 5.24 -5.383281007e-02 -1.752192527e-01 -2.230978420e-01 5.26 -4.849846021e-02 -1.684906259e-01 -2.139701592e-01 5.28 -4.360133756e-02 -1.624351083e-01 -2.047415743e-01 5.30 -3.912092352e-02 -1.562644823e-01 -1.957525354e-01 5.32 -3.502926392e-02 -1.493486727e-01 -1.873479319e-01 5.34 -3.129582029e-02 -1.413988265e-01 -1.797554009e-01 5.36 -2.789137297e-02 -1.323576971e-01 -1.722915340e-01 5.38 -2.479106624e-02 -1.222923709e-01 -1.639865104e-01 5.40 -2.197424949e-02 -1.115468753e-01 -1.544005941e-01 5.42 -1.942071758e-02 -1.006760079e-01 -1.434526411e-01 5.44 -1.711037502e-02 -9.007213222e-02 -1.312570346e-01 5.46 -1.502376987e-02 -7.997881726e-02 -1.183229346e-01 5.48 -1.314244780e-02 -7.053548539e-02 -1.053833050e-01 5.50 -1.144916450e-02 -6.181047945e-02 -9.291448752e-02 5.52 -9.927990737e-03 -5.382515667e-02 -8.119607119e-02 5.54 -8.564337611e-03 -4.657110466e-02 -7.037492713e-02 5.56 -7.344923718e-03 -4.002215109e-02 -6.051106227e-02 5.58 -6.257701545e-03 -3.414248868e-02 -5.160978758e-02 5.60 -5.291756535e-03 -2.889195124e-02 -4.364372909e-02 5.62 -4.437189345e-03 -2.422924352e-02 -3.656742295e-02 5.64 -3.684989461e-03 -2.011374023e-02 -3.032660109e-02 5.66 -3.026906481e-03 -1.650631962e-02 -2.486376605e-02 5.68 -2.455323956e-03 -1.336957828e-02 -2.012125135e-02 5.70 -1.963139659e-03 -1.066768097e-02 -1.604264825e-02 5.72 -1.543655346e-03 -8.366027159e-03 -1.257323539e-02 5.74 -1.190478552e-03 -6.430861515e-03 -9.659861086e-03 5.76 -8.974386227e-04 -4.828913868e-03 -7.250587191e-03 5.78 -6.585189541e-04 -3.527124146e-03 -5.294299691e-03 5.80 -4.678073424e-04 -2.492485676e-03 -3.740415515e-03 5.82 -3.194663193e-04 -1.692024830e-03 -2.538761886e-03 5.84 -2.077254155e-04 -1.092924516e-03 -1.639667947e-03 5.86 -1.268973947e-04 -6.627921562e-04 -9.942842488e-04 5.88 -7.142062979e-05 -3.700685441e-04 -5.551305800e-04 5.90 -3.592995541e-05 -1.845716482e-04 -2.768638745e-04 5.92 -1.535849260e-05 -7.816825545e-05 -1.172534474e-04 5.94 -5.073121199e-06 -2.556602255e-05 -3.834913935e-05 5.96 -1.046450193e-06 -5.218611434e-06 -7.827921228e-06 5.98 -6.831440777e-08 -3.369379719e-07 -5.054069736e-07 6.00 3.697643220e-13 1.433787181e-12 2.023149715e-12