# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Cr3Mn # 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 7.734706970e+02 nan nan 0.86 7.132983786e+02 nan nan 0.88 6.575807688e+02 nan nan 0.90 6.060003975e+02 nan nan 0.92 5.582616640e+02 7.439933612e+02 nan 0.94 5.140893444e+02 6.903991670e+02 7.987162597e+02 0.96 4.732272484e+02 6.404576522e+02 7.443778781e+02 0.98 4.354369914e+02 5.939300979e+02 6.935203890e+02 1.00 4.004967547e+02 5.505928316e+02 6.459308399e+02 1.02 3.682000917e+02 5.102363091e+02 6.014088180e+02 1.04 3.383549076e+02 4.726642502e+02 5.597657330e+02 1.06 3.107825993e+02 4.376928264e+02 5.208241407e+02 1.08 2.853171497e+02 4.051498939e+02 4.844171604e+02 1.10 2.618042610e+02 3.748742755e+02 4.503878638e+02 1.12 2.401005023e+02 3.467150888e+02 4.185886170e+02 1.14 2.200725905e+02 3.205311107e+02 3.888805486e+02 1.16 2.015967334e+02 2.961901795e+02 3.611330543e+02 1.18 1.845580653e+02 2.735686332e+02 3.352233263e+02 1.20 1.688499467e+02 2.525507812e+02 3.110359090e+02 1.22 1.543733279e+02 2.330284079e+02 2.884622779e+02 1.24 1.410362222e+02 2.149003094e+02 2.674003962e+02 1.26 1.287532189e+02 1.980718558e+02 2.477543134e+02 1.28 1.174450702e+02 1.824545751e+02 2.294339142e+02 1.30 1.070382808e+02 1.679657665e+02 2.123545853e+02 1.32 9.746466147e+01 1.545281377e+02 1.964368893e+02 1.34 8.866093653e+01 1.420694643e+02 1.816062575e+02 1.36 8.056830879e+01 1.305222702e+02 1.677927009e+02 1.38 7.313225512e+01 1.198235267e+02 1.549305378e+02 1.40 6.630227826e+01 1.099143712e+02 1.429581373e+02 1.42 6.003162101e+01 1.007398412e+02 1.318176937e+02 1.44 5.427701085e+01 9.224862251e+01 1.214550770e+02 1.46 4.899839361e+01 8.439282009e+01 1.118195291e+02 1.48 4.415865922e+01 7.712774135e+01 1.028634205e+02 1.50 3.972344367e+01 7.041169042e+01 9.454206765e+01 1.52 3.566096893e+01 6.420577532e+01 8.681356149e+01 1.54 3.194186344e+01 5.847372699e+01 7.963860426e+01 1.56 2.853908539e+01 5.318172962e+01 7.298035561e+01 1.58 2.542769704e+01 4.829826162e+01 6.680428750e+01 1.60 2.258462254e+01 4.379394650e+01 6.107804723e+01 1.62 1.998851411e+01 3.964141308e+01 5.577132785e+01 1.64 1.761962491e+01 3.581516570e+01 5.085571953e+01 1.66 1.545968259e+01 3.229146506e+01 4.630452133e+01 1.68 1.349180058e+01 2.904820801e+01 4.209273835e+01 1.70 1.170041193e+01 2.606481853e+01 3.819700745e+01 1.72 1.007118338e+01 2.332214707e+01 3.459549416e+01 1.74 8.590877285e+00 2.080237632e+01 3.126779606e+01 1.76 7.247268605e+00 1.848893289e+01 2.819485211e+01 1.78 6.029054018e+00 1.636640465e+01 2.535885770e+01 1.80 4.925676060e+00 1.442046332e+01 2.274318514e+01 1.82 3.927365004e+00 1.263779202e+01 2.033230859e+01 1.84 3.025144656e+00 1.100601744e+01 1.811173364e+01 1.86 2.210770874e+00 9.513646385e+00 1.606793156e+01 1.88 1.476674749e+00 8.150006259e+00 1.418828008e+01 1.90 8.159217195e-01 6.905186088e+00 1.246107824e+01 1.92 2.221611301e-01 5.769984991e+00 1.087548290e+01 1.94 -3.104356826e-01 4.735868190e+00 9.421361440e+00 1.96 -7.872496694e-01 3.794921613e+00 8.089243584e+00 1.98 -1.213255440e+00 2.939809214e+00 6.870281332e+00 2.00 -1.593006126e+00 2.163733105e+00 5.756211158e+00 2.02 -1.930664169e+00 1.460396308e+00 4.739318305e+00 2.04 -2.230033240e+00 8.239679693e-01 3.812403120e+00 2.06 -2.494532274e+00 2.490508806e-01 2.968749282e+00 2.08 -2.727151731e+00 -2.693488417e-01 2.202093857e+00 2.10 -2.930623556e+00 -7.358500607e-01 1.506599057e+00 2.12 -3.107464679e+00 -1.154723027e+00 8.768256397e-01 2.14 -3.259992782e+00 -1.529914018e+00 3.077078359e-01 2.16 -3.390340943e+00 -1.865068299e+00 -2.054702191e-01 2.18 -3.500475819e+00 -2.163557666e+00 -6.671243506e-01 2.20 -3.592224017e+00 -2.428506947e+00 -1.081474394e+00 2.22 -3.667265940e+00 -2.662778530e+00 -1.452455863e+00 2.24 -3.727141067e+00 -2.869008293e+00 -1.783704792e+00 2.26 -3.773255361e+00 -3.049625503e+00 -2.078579182e+00 2.28 -3.806854274e+00 -3.206867790e+00 -2.340178958e+00 2.30 -3.829053558e+00 -3.342795092e+00 -2.571364566e+00 2.32 -3.840878525e+00 -3.459302643e+00 -2.774774307e+00 2.34 -3.843270867e+00 -3.558133055e+00 -2.952840478e+00 2.36 -3.837094363e+00 -3.640887559e+00 -3.107804405e+00 2.38 -3.823140166e+00 -3.709036466e+00 -3.241730444e+00 2.40 -3.802131669e+00 -3.763928881e+00 -3.356519000e+00 2.42 -3.774728989e+00 -3.806801742e+00 -3.453918658e+00 2.44 -3.741533090e+00 -3.838788204e+00 -3.535537452e+00 2.46 -3.703089570e+00 -3.860925427e+00 -3.602853357e+00 2.48 -3.659892130e+00 -3.874161801e+00 -3.657224037e+00 2.50 -3.612385677e+00 -3.879363407e+00 -3.699895565e+00 2.52 -3.560959521e+00 -3.877293925e+00 -3.731971397e+00 2.54 -3.505943368e+00 -3.868588666e+00 -3.754372649e+00 2.56 -3.447629142e+00 -3.853809121e+00 -3.767919227e+00 2.58 -3.386275250e+00 -3.833473235e+00 -3.773374646e+00 2.60 -3.322108453e+00 -3.808059474e+00 -3.771451634e+00 2.62 -3.255325829e+00 -3.778009137e+00 -3.762815183e+00 2.64 -3.186096958e+00 -3.743728485e+00 -3.748085423e+00 2.66 -3.114566453e+00 -3.705590704e+00 -3.727840328e+00 2.68 -3.040857039e+00 -3.663937706e+00 -3.702618268e+00 2.70 -2.965073371e+00 -3.619081785e+00 -3.672920410e+00 2.72 -2.887306873e+00 -3.571307128e+00 -3.639212988e+00 2.74 -2.807641824e+00 -3.520871205e+00 -3.601929428e+00 2.76 -2.726162986e+00 -3.468006041e+00 -3.561472361e+00 2.78 -2.642964941e+00 -3.412919410e+00 -3.518215510e+00 2.80 -2.558163231e+00 -3.355795969e+00 -3.472505471e+00 2.82 -2.471907110e+00 -3.296798375e+00 -3.424663382e+00 2.84 -2.384393412e+00 -3.236068434e+00 -3.374986503e+00 2.86 -2.295880499e+00 -3.173728365e+00 -3.323749689e+00 2.88 -2.206700740e+00 -3.109882248e+00 -3.271206786e+00 2.90 -2.117269341e+00 -3.044617793e+00 -3.217591935e+00 2.92 -2.028086985e+00 -2.978008545e+00 -3.163120795e+00 2.94 -1.939733689e+00 -2.910116713e+00 -3.107991701e+00 2.96 -1.852851883e+00 -2.840996783e+00 -3.052386732e+00 2.98 -1.768118042e+00 -2.770700118e+00 -2.996472728e+00 3.00 -1.686204187e+00 -2.699280701e+00 -2.940402233e+00 3.02 -1.607732909e+00 -2.626802124e+00 -2.884314375e+00 3.04 -1.533231581e+00 -2.553345791e+00 -2.828335691e+00 3.06 -1.463092505e+00 -2.479020120e+00 -2.772580893e+00 3.08 -1.397545370e+00 -2.403970200e+00 -2.717153586e+00 3.10 -1.336646439e+00 -2.328387052e+00 -2.662146921e+00 3.12 -1.280285921e+00 -2.252515199e+00 -2.607644047e+00 3.14 -1.228211690e+00 -2.176656969e+00 -2.553700545e+00 3.16 -1.180064817e+00 -2.101171786e+00 -2.500302072e+00 3.18 -1.135420917e+00 -2.026468917e+00 -2.447533528e+00 3.20 -1.093831152e+00 -1.952992799e+00 -2.395710495e+00 3.22 -1.054857845e+00 -1.881201162e+00 -2.344682199e+00 3.24 -1.018101364e+00 -1.811537598e+00 -2.294479611e+00 3.26 -9.832169444e-01 -1.744401612e+00 -2.245130772e+00 3.28 -9.499218470e-01 -1.680120213e+00 -2.196657330e+00 3.30 -9.179945269e-01 -1.618925240e+00 -2.149074837e+00 3.32 -8.872681777e-01 -1.560939931e+00 -2.102393024e+00 3.34 -8.576211536e-01 -1.506176599e+00 -2.056616074e+00 3.36 -8.289664638e-01 -1.454545378e+00 -2.011742881e+00 3.38 -8.012419606e-01 -1.405872076e+00 -1.967767322e+00 3.40 -7.744021760e-01 -1.359921918e+00 -1.924678540e+00 3.42 -7.484121567e-01 -1.316425420e+00 -1.882461249e+00 3.44 -7.232432035e-01 -1.275102912e+00 -1.841096071e+00 3.46 -6.988701671e-01 -1.235685041e+00 -1.800559915e+00 3.48 -6.752698719e-01 -1.197927700e+00 -1.760826408e+00 3.50 -6.524202738e-01 -1.161620946e+00 -1.721866383e+00 3.52 -6.303000488e-01 -1.126592384e+00 -1.683648435e+00 3.54 -6.088884113e-01 -1.092706115e+00 -1.646139538e+00 3.56 -5.881650418e-01 -1.059858649e+00 -1.609305728e+00 3.58 -5.681100619e-01 -1.027973195e+00 -1.573112847e+00 3.60 -5.486778482e-01 -9.969935113e-01 -1.537527317e+00 3.62 -5.252277263e-01 -9.668781914e-01 -1.502516939e+00 3.64 -4.731667142e-01 -9.375958922e-01 -1.468051678e+00 3.66 -4.300798648e-01 -9.091216873e-01 -1.434104402e+00 3.68 -5.281552636e-01 -8.814344988e-01 -1.400651536e+00 3.70 -5.142438292e-01 -8.545154279e-01 -1.367673595e+00 3.72 -5.008533751e-01 -8.283467501e-01 -1.335155557e+00 3.74 -4.879581841e-01 -8.029113620e-01 -1.303087055e+00 3.76 -4.755316134e-01 -7.781925027e-01 -1.271462364e+00 3.78 -4.635460983e-01 -7.541736307e-01 -1.240280189e+00 3.80 -4.519731947e-01 -7.308383805e-01 -1.209543263e+00 3.82 -4.407836681e-01 -7.081258177e-01 -1.179257789e+00 3.84 -4.299476415e-01 -6.821412431e-01 -1.149432746e+00 3.86 -4.194348102e-01 -6.353112662e-01 -1.120079133e+00 3.88 -4.092147293e-01 -5.501876922e-01 -1.091209179e+00 3.90 -3.992571783e-01 -4.843674249e-01 -1.062835574e+00 3.92 -3.895325972e-01 -4.694020853e-01 -1.034970770e+00 3.94 -3.800092533e-01 -4.548709048e-01 -1.007626368e+00 3.96 -3.678811647e-01 -4.407628187e-01 -9.808126328e-01 3.98 -3.322625794e-01 -4.270669472e-01 -9.545381334e-01 4.00 -2.318627780e-01 -4.137725995e-01 -9.288095093e-01 4.02 -1.523021176e-01 -4.008692773e-01 -9.036313622e-01 4.04 -1.371465036e-01 -3.883466773e-01 -8.790062498e-01 4.06 -1.327457646e-01 -3.761946934e-01 -8.549347658e-01 4.08 -1.284829997e-01 -3.644034186e-01 -8.314156840e-01 4.10 -1.243541444e-01 -3.529631457e-01 -8.084461441e-01 4.12 -1.203552327e-01 -3.418643677e-01 -7.860218620e-01 4.14 -1.164823964e-01 -3.310977786e-01 -7.641373454e-01 4.16 -1.127318645e-01 -3.206542724e-01 -7.427861036e-01 4.18 -1.090999620e-01 -3.105249430e-01 -7.219608418e-01 4.20 -1.055831089e-01 -3.007010831e-01 -7.016536333e-01 4.22 -1.021778190e-01 -2.911741829e-01 -6.818560679e-01 4.24 -9.888069847e-02 -2.819359287e-01 -6.625593757e-01 4.26 -9.568844464e-02 -2.729782010e-01 -6.437545277e-01 4.28 -9.259784444e-02 -2.642930728e-01 -6.254323165e-01 4.30 -8.960577290e-02 -2.558728073e-01 -6.075834190e-01 4.32 -8.670919160e-02 -2.477098556e-01 -5.901984455e-01 4.34 -8.390514700e-02 -2.397968542e-01 -5.732679775e-01 4.36 -8.119076884e-02 -2.321266224e-01 -5.567825971e-01 4.38 -7.856326844e-02 -2.246921598e-01 -5.407329108e-01 4.40 -7.601993699e-02 -2.174866430e-01 -5.251095672e-01 4.42 -7.333681323e-02 -2.098475626e-01 -5.085072755e-01 4.44 -6.778087606e-02 -1.936903038e-01 -4.735568028e-01 4.46 -5.299821887e-02 -1.504032409e-01 -3.784600153e-01 4.48 -2.459295574e-02 -6.821022300e-02 -1.866656177e-01 4.50 -1.012702936e-24 -3.967428249e-23 -3.656795205e-23 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