# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Lee-B-J-Lee-T-H-Kim-S-J--Fe-N # implementation = 2006--Lee-B-J--Fe-N--LAMMPS--ipr1 # composition = Fe3N # 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 5.262593701e+02 nan nan 0.74 4.897514608e+02 nan nan 0.76 4.554344829e+02 nan nan 0.78 4.232155822e+02 5.328936371e+02 nan 0.80 3.929992308e+02 4.980979377e+02 nan 0.82 3.646889047e+02 4.653377433e+02 5.488873867e+02 0.84 3.381883747e+02 4.345168353e+02 5.117743315e+02 0.86 3.134026902e+02 4.055397730e+02 4.770002418e+02 0.88 2.902389222e+02 3.783128073e+02 4.444342242e+02 0.90 2.686067131e+02 3.527445379e+02 4.139497360e+02 0.92 2.484186755e+02 3.287463755e+02 3.854251032e+02 0.94 2.295906697e+02 3.062328550e+02 3.587438526e+02 0.96 2.120419858e+02 2.851218346e+02 3.337948990e+02 0.98 1.956954497e+02 2.653346085e+02 3.104726180e+02 1.00 1.804774697e+02 2.467959543e+02 2.886768345e+02 1.02 1.663180363e+02 2.294341315e+02 2.683127442e+02 1.04 1.531506848e+02 2.131808432e+02 2.492907871e+02 1.06 1.409124307e+02 1.979711700e+02 2.315264855e+02 1.08 1.295436831e+02 1.837434851e+02 2.149402580e+02 1.10 1.189881426e+02 1.704393547e+02 1.994572169e+02 1.12 1.091926879e+02 1.580034287e+02 1.850069553e+02 1.14 1.001072537e+02 1.463833253e+02 1.715233308e+02 1.16 9.168470480e+01 1.355295117e+02 1.589442472e+02 1.18 8.388070667e+01 1.253951833e+02 1.472114397e+02 1.20 7.665359546e+01 1.159361425e+02 1.362702633e+02 1.22 6.996424867e+01 1.071106787e+02 1.260694882e+02 1.24 6.377595738e+01 9.887945044e+01 1.165611020e+02 1.26 5.805430121e+01 9.120536969e+01 1.077001202e+02 1.28 5.276702654e+01 8.405348982e+01 9.944440449e+01 1.30 4.788392847e+01 7.739089666e+01 9.175449074e+01 1.32 4.337673688e+01 7.118660354e+01 8.459342497e+01 1.34 3.921900696e+01 6.541145009e+01 7.792660843e+01 1.36 3.538601416e+01 6.003800522e+01 7.172165118e+01 1.38 3.185465374e+01 5.504047395e+01 6.594823400e+01 1.40 2.860334500e+01 5.039460841e+01 6.057797836e+01 1.42 2.561193999e+01 4.607762282e+01 5.558432409e+01 1.44 2.286163684e+01 4.206811236e+01 5.094241449e+01 1.46 2.033489740e+01 3.834597591e+01 4.662898841e+01 1.48 1.801536927e+01 3.489234258e+01 4.262227902e+01 1.50 1.588781196e+01 3.168950179e+01 3.890191891e+01 1.52 1.393802706e+01 2.872083695e+01 3.544885110e+01 1.54 1.215279232e+01 2.597076249e+01 3.224524567e+01 1.56 1.051979944e+01 2.342466411e+01 2.927442170e+01 1.58 9.027595385e+00 2.106884228e+01 2.652077409e+01 1.60 7.665527138e+00 1.889045856e+01 2.396970511e+01 1.62 6.423689676e+00 1.687748499e+01 2.160756030e+01 1.64 5.292877029e+00 1.501865606e+01 1.942156836e+01 1.66 4.264536270e+00 1.330342335e+01 1.739978504e+01 1.68 3.330724295e+00 1.172191273e+01 1.553104043e+01 1.70 2.484067227e+00 1.026488379e+01 1.380488978e+01 1.72 1.717722324e+00 8.923691697e+00 1.221156729e+01 1.74 1.025342249e+00 7.690251032e+00 1.074194297e+01 1.76 4.010415862e-01 6.557001805e+00 9.387482160e+00 1.78 -1.606330391e-01 5.516877323e+00 8.140207700e+00 1.80 -6.647332369e-01 4.563273921e+00 6.992664411e+00 1.82 -1.115948119e+00 3.690022436e+00 5.937885894e+00 1.84 -1.518605076e+00 2.891361323e+00 4.969363406e+00 1.86 -1.876712819e+00 2.161911338e+00 4.081016706e+00 1.88 -2.193978639e+00 1.496651696e+00 3.267166748e+00 1.90 -2.473807026e+00 8.908976336e-01 2.522510090e+00 1.92 -2.719306986e+00 3.402792906e-01 1.842094925e+00 1.94 -2.933578472e+00 -1.592781539e-01 1.221298616e+00 1.96 -3.119327331e+00 -6.115731646e-01 6.558066464e-01 1.98 -3.280151548e+00 -1.020145416e+00 1.415928982e-01 2.00 -3.417642049e+00 -1.388292300e+00 -3.250988342e-01 2.02 -3.531453847e+00 -1.719084443e+00 -7.477721656e-01 2.04 -3.625691773e+00 -2.015380279e+00 -1.129694354e+00 2.06 -3.704227934e+00 -2.279839735e+00 -1.473911514e+00 2.08 -3.767726283e+00 -2.514937082e+00 -1.783262876e+00 2.10 -3.812224709e+00 -2.722972997e+00 -2.060394148e+00 2.12 -3.843360177e+00 -2.906085881e+00 -2.307770038e+00 2.14 -3.862410023e+00 -3.066262478e+00 -2.527685991e+00 2.16 -3.870545940e+00 -3.205372537e+00 -2.722279182e+00 2.18 -3.868841829e+00 -3.325524758e+00 -2.893538829e+00 2.20 -3.858281085e+00 -3.428533560e+00 -3.043315841e+00 2.22 -3.839763376e+00 -3.514007505e+00 -3.173331873e+00 2.24 -3.814110934e+00 -3.584434433e+00 -3.285187799e+00 2.26 -3.782074408e+00 -3.641196218e+00 -3.380371656e+00 2.28 -3.744338293e+00 -3.685462922e+00 -3.460266082e+00 2.30 -3.701525974e+00 -3.718317224e+00 -3.526155286e+00 2.32 -3.654204413e+00 -3.740760301e+00 -3.579231575e+00 2.34 -3.602888504e+00 -3.753717341e+00 -3.620601468e+00 2.36 -3.548045123e+00 -3.758042698e+00 -3.651291415e+00 2.38 -3.490096890e+00 -3.754524711e+00 -3.672253165e+00 2.40 -3.429425682e+00 -3.743890207e+00 -3.684368775e+00 2.42 -3.366375908e+00 -3.726808712e+00 -3.688455312e+00 2.44 -3.301257569e+00 -3.703896390e+00 -3.685269247e+00 2.46 -3.234349132e+00 -3.675719723e+00 -3.675510567e+00 2.48 -3.165900239e+00 -3.642798943e+00 -3.659824663e+00 2.50 -3.096134265e+00 -3.605611260e+00 -3.637663143e+00 2.52 -3.025250759e+00 -3.564593861e+00 -3.601674026e+00 2.54 -2.953427776e+00 -3.520146735e+00 -3.547692485e+00 2.56 -2.880824144e+00 -3.472635314e+00 -3.510381810e+00 2.58 -2.807581659e+00 -3.422392952e+00 -3.472894691e+00 2.60 -2.733827258e+00 -3.369723266e+00 -3.432556561e+00 2.62 -2.659675164e+00 -3.314902341e+00 -3.389727030e+00 2.64 -2.585229054e+00 -3.258180817e+00 -3.344736714e+00 2.66 -2.510584223e+00 -3.199785888e+00 -3.297889287e+00 2.68 -2.435829803e+00 -3.139923207e+00 -3.249463400e+00 2.70 -2.361051000e+00 -3.078778729e+00 -3.199714465e+00 2.72 -2.286331374e+00 -3.016520506e+00 -3.148876333e+00 2.74 -2.211755137e+00 -2.953300445e+00 -3.097162852e+00 2.76 -2.137409442e+00 -2.889256055e+00 -3.044769320e+00 2.78 -2.063386617e+00 -2.824512194e+00 -2.991873848e+00 2.80 -1.989786284e+00 -2.759182829e+00 -2.938638619e+00 2.82 -1.916717281e+00 -2.693372837e+00 -2.885211076e+00 2.84 -1.844299272e+00 -2.627179836e+00 -2.831725017e+00 2.86 -1.772663431e+00 -2.560696069e+00 -2.778301621e+00 2.88 -1.697744136e+00 -2.494010339e+00 -2.725050400e+00 2.90 -1.586906230e+00 -2.427209973e+00 -2.672070091e+00 2.92 -1.426624209e+00 -2.360382805e+00 -2.619449476e+00 2.94 -1.224710558e+00 -2.293619144e+00 -2.567268154e+00 2.96 -1.198187904e+00 -2.227013657e+00 -2.515597253e+00 2.98 -1.172078789e+00 -2.160667125e+00 -2.464500089e+00 3.00 -1.146353072e+00 -2.094687954e+00 -2.414032786e+00 3.02 -1.120984954e+00 -2.029193358e+00 -2.364244841e+00 3.04 -1.095953616e+00 -1.964214359e+00 -2.315179653e+00 3.06 -1.071243646e+00 -1.889661409e+00 -2.266875011e+00 3.08 -1.046845206e+00 -1.753872552e+00 -2.219363546e+00 3.10 -1.022753939e+00 -1.499462285e+00 -2.172673146e+00 3.12 -9.989706083e-01 -1.314104840e+00 -2.126827340e+00 3.14 -9.754864611e-01 -1.274047260e+00 -2.081845653e+00 3.16 -9.510083136e-01 -1.235957671e+00 -2.037743927e+00 3.18 -9.165177793e-01 -1.199694229e+00 -1.994534621e+00 3.20 -8.326498951e-01 -1.165110066e+00 -1.952227082e+00 3.22 -6.586695754e-01 -1.132059296e+00 -1.910827788e+00 3.24 -6.446589763e-01 -1.100402055e+00 -1.870340579e+00 3.26 -6.308605171e-01 -1.070008377e+00 -1.830766855e+00 3.28 -6.172787668e-01 -1.040760834e+00 -1.792105758e+00 3.30 -6.039171488e-01 -1.012555980e+00 -1.754354340e+00 3.32 -5.907780916e-01 -9.853047182e-01 -1.717507700e+00 3.34 -5.778631715e-01 -9.589317866e-01 -1.681559118e+00 3.36 -5.651732440e-01 -9.333745915e-01 -1.646500162e+00 3.38 -5.527085591e-01 -9.085816184e-01 -1.612320785e+00 3.40 -5.404688604e-01 -8.845106452e-01 -1.579009407e+00 3.42 -5.284534684e-01 -8.611269397e-01 -1.546552981e+00 3.44 -5.166613482e-01 -8.384015847e-01 -1.514937052e+00 3.46 -5.050911653e-01 -8.163100194e-01 -1.484145803e+00 3.48 -4.937413299e-01 -7.948308424e-01 -1.454162089e+00 3.50 -4.826100329e-01 -7.739448820e-01 -1.424967469e+00 3.52 -4.705582085e-01 -7.518790876e-01 -1.393846377e+00 3.54 -4.432310361e-01 -7.065500715e-01 -1.326287482e+00 3.56 -3.641705605e-01 -5.817485097e-01 -1.127447445e+00 3.58 -1.920820518e-01 -3.107043328e-01 -6.473969651e-01 3.60 -4.978988565e-23 -1.528569692e-22 -2.044751045e-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 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 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