# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg-Al # implementation = 2009--Kim-Y-M--Mg-Al--LAMMPS--ipr1 # composition = AlMg3 # 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 1.675309813e+02 nan nan 0.92 1.591849161e+02 nan nan 0.94 1.512089413e+02 nan nan 0.96 1.435884530e+02 nan nan 0.98 1.363093473e+02 1.657185787e+02 nan 1.00 1.293580035e+02 1.581221035e+02 nan 1.02 1.227212683e+02 1.508343314e+02 1.484111853e+02 1.04 1.163864410e+02 1.438442663e+02 1.419468892e+02 1.06 1.103412608e+02 1.371412309e+02 1.357396971e+02 1.08 1.045738933e+02 1.307148594e+02 1.297796009e+02 1.10 9.907291887e+01 1.245550915e+02 1.240569210e+02 1.12 9.382732138e+01 1.186521656e+02 1.185623243e+02 1.14 8.882647673e+01 1.129966134e+02 1.132868348e+02 1.16 8.406014218e+01 1.075792539e+02 1.082218387e+02 1.18 7.951844588e+01 1.023911881e+02 1.033590837e+02 1.20 7.519187651e+01 9.742379310e+01 9.869067327e+01 1.22 7.107127322e+01 9.266871683e+01 9.420905731e+01 1.24 6.714781561e+01 8.811787238e+01 8.990701987e+01 1.26 6.341301399e+01 8.376343257e+01 8.577766471e+01 1.28 5.985869966e+01 7.959782434e+01 8.181439956e+01 1.30 5.647701540e+01 7.561372318e+01 7.801091977e+01 1.32 5.326040606e+01 7.180404754e+01 7.436119188e+01 1.34 5.020160933e+01 6.816195321e+01 7.085943741e+01 1.36 4.729364654e+01 6.468082765e+01 6.750011740e+01 1.38 4.452981376e+01 6.135428433e+01 6.427791764e+01 1.40 4.190367291e+01 5.817615712e+01 6.118773499e+01 1.42 3.940904308e+01 5.514049457e+01 5.822466465e+01 1.44 3.703999203e+01 5.224155432e+01 5.538398851e+01 1.46 3.479082783e+01 4.947379749e+01 5.266116456e+01 1.48 3.265609066e+01 4.683188305e+01 5.005181718e+01 1.50 3.063054479e+01 4.431066235e+01 4.755172844e+01 1.52 2.870917076e+01 4.190517356e+01 4.515683024e+01 1.54 2.688715772e+01 3.961063631e+01 4.286319710e+01 1.56 2.515989594e+01 3.742244625e+01 4.066703975e+01 1.58 2.352296959e+01 3.533616983e+01 3.856469928e+01 1.60 2.197214956e+01 3.334753903e+01 3.655264175e+01 1.62 2.050338660e+01 3.145244624e+01 3.462745342e+01 1.64 1.911280462e+01 2.964693925e+01 3.278583619e+01 1.66 1.779669411e+01 2.792721623e+01 3.102460351e+01 1.68 1.655150587e+01 2.628962093e+01 2.934067656e+01 1.70 1.537384480e+01 2.473063790e+01 2.773108068e+01 1.72 1.426046396e+01 2.324688783e+01 2.619294198e+01 1.74 1.320825881e+01 2.183512302e+01 2.472348422e+01 1.76 1.221426156e+01 2.049222289e+01 2.332002577e+01 1.78 1.127563583e+01 1.921518968e+01 2.197997676e+01 1.80 1.038967135e+01 1.800114420e+01 2.070083634e+01 1.82 9.553778902e+00 1.684732172e+01 1.948019000e+01 1.84 8.765485454e+00 1.575106791e+01 1.831570708e+01 1.86 8.022429414e+00 1.470983501e+01 1.720513825e+01 1.88 7.322356065e+00 1.372117792e+01 1.614631314e+01 1.90 6.663113174e+00 1.278275063e+01 1.513713803e+01 1.92 6.042646735e+00 1.189230252e+01 1.417559354e+01 1.94 5.458996887e+00 1.104767495e+01 1.325973245e+01 1.96 4.910293959e+00 1.024679786e+01 1.238767753e+01 1.98 4.394754684e+00 9.487686483e+00 1.155761943e+01 2.00 3.910678528e+00 8.768438181e+00 1.076781463e+01 2.02 3.456444182e+00 8.087229366e+00 1.001658343e+01 2.04 3.030506166e+00 7.442312518e+00 9.302307961e+00 2.06 2.631391573e+00 6.832013306e+00 8.623430263e+00 2.08 2.257696940e+00 6.254727795e+00 7.978450428e+00 2.10 1.908085233e+00 5.708919750e+00 7.365924739e+00 2.12 1.581282953e+00 5.193118028e+00 6.784463877e+00 2.14 1.276077359e+00 4.705914055e+00 6.232731176e+00 2.16 9.913137988e-01 4.245959394e+00 5.709440895e+00 2.18 7.258931418e-01 3.811963391e+00 5.213356563e+00 2.20 4.787693239e-01 3.402690905e+00 4.743289336e+00 2.22 2.489469826e-01 3.016960118e+00 4.298096410e+00 2.24 3.547919550e-02 2.653640420e+00 3.876679476e+00 2.26 -1.625346942e-01 2.311650369e+00 3.477983206e+00 2.28 -3.459511595e-01 1.989955727e+00 3.100993783e+00 2.30 -5.155844861e-01 1.687567561e+00 2.744737475e+00 2.32 -6.722086878e-01 1.403540418e+00 2.408279239e+00 2.34 -8.165593385e-01 1.136970566e+00 2.090721369e+00 2.36 -9.493353305e-01 8.869942934e-01 1.791202183e+00 2.38 -1.071200557e+00 6.527862811e-01 1.508894744e+00 2.40 -1.182785522e+00 4.335580271e-01 1.243005618e+00 2.42 -1.284688888e+00 2.285563335e-01 9.927736752e-01 2.44 -1.377478947e+00 3.706184822e-02 7.574689131e-01 2.46 -1.461695038e+00 -1.416123336e-01 5.363913326e-01 2.48 -1.537848897e+00 -3.081220215e-01 3.288698329e-01 2.50 -1.606425956e+00 -4.630932258e-01 1.342611487e-01 2.52 -1.667886574e+00 -6.071234037e-01 -4.805117880e-02 2.54 -1.722667226e+00 -7.407826608e-01 -2.186578053e-01 2.56 -1.771181631e+00 -8.646149024e-01 -3.781245470e-01 2.58 -1.813821837e+00 -9.791389414e-01 -5.269933168e-01 2.60 -1.850959255e+00 -1.084849565e+00 -6.657830324e-01 2.62 -1.882945646e+00 -1.182218556e+00 -7.949904881e-01 2.64 -1.910114066e+00 -1.271695674e+00 -9.150912043e-01 2.66 -1.932779768e+00 -1.353709604e+00 -1.026540246e+00 2.68 -1.951241066e+00 -1.428668859e+00 -1.129773010e+00 2.70 -1.965780155e+00 -1.496962649e+00 -1.225205994e+00 2.72 -1.976663899e+00 -1.558961722e+00 -1.313237530e+00 2.74 -1.984145478e+00 -1.615019158e+00 -1.394248501e+00 2.76 -1.988470618e+00 -1.665471146e+00 -1.468603022e+00 2.78 -1.989855264e+00 -1.710637719e+00 -1.536649110e+00 2.80 -1.988504957e+00 -1.750823460e+00 -1.598719321e+00 2.82 -1.984628749e+00 -1.786318187e+00 -1.655131367e+00 2.84 -1.978416227e+00 -1.817397599e+00 -1.706188713e+00 2.86 -1.970051766e+00 -1.844323906e+00 -1.752181150e+00 2.88 -1.959717017e+00 -1.867346423e+00 -1.793385347e+00 2.90 -1.947531724e+00 -1.886702151e+00 -1.830065387e+00 2.92 -1.933660254e+00 -1.902616321e+00 -1.862473277e+00 2.94 -1.918249073e+00 -1.915302928e+00 -1.890849446e+00 2.96 -1.901430803e+00 -1.924965230e+00 -1.915423218e+00 2.98 -1.883330204e+00 -1.931796239e+00 -1.936413275e+00 3.00 -1.864064577e+00 -1.935979182e+00 -1.954028094e+00 3.02 -1.843744156e+00 -1.937687947e+00 -1.968466375e+00 3.04 -1.822472469e+00 -1.937087509e+00 -1.979917448e+00 3.06 -1.800346688e+00 -1.934334336e+00 -1.988561668e+00 3.08 -1.777457966e+00 -1.929576777e+00 -1.994570792e+00 3.10 -1.753891752e+00 -1.922955447e+00 -1.998108345e+00 3.12 -1.729728092e+00 -1.914603576e+00 -1.999329967e+00 3.14 -1.705041918e+00 -1.904647351e+00 -1.998383752e+00 3.16 -1.679903317e+00 -1.893206249e+00 -1.995410569e+00 3.18 -1.654377798e+00 -1.880393348e+00 -1.990544375e+00 3.20 -1.628526532e+00 -1.866315627e+00 -1.983912512e+00 3.22 -1.602406594e+00 -1.851074254e+00 -1.975635995e+00 3.24 -1.576071178e+00 -1.834764859e+00 -1.965829787e+00 3.26 -1.549569820e+00 -1.817477802e+00 -1.954603063e+00 3.28 -1.522948589e+00 -1.799298415e+00 -1.942059464e+00 3.30 -1.496250290e+00 -1.780307252e+00 -1.928297344e+00 3.32 -1.469514636e+00 -1.760580313e+00 -1.913409999e+00 3.34 -1.442778430e+00 -1.740189263e+00 -1.897485897e+00 3.36 -1.416075722e+00 -1.719201647e+00 -1.880608889e+00 3.38 -1.389437973e+00 -1.697681083e+00 -1.862858420e+00 3.40 -1.362894196e+00 -1.675687461e+00 -1.844309723e+00 3.42 -1.336471103e+00 -1.653277121e+00 -1.825034014e+00 3.44 -1.310193233e+00 -1.630503029e+00 -1.805098673e+00 3.46 -1.284083085e+00 -1.607414945e+00 -1.784567415e+00 3.48 -1.258161233e+00 -1.584059581e+00 -1.763512210e+00 3.50 -1.232446442e+00 -1.560480755e+00 -1.742282344e+00 3.52 -1.206955779e+00 -1.536719534e+00 -1.721641817e+00 3.54 -1.181704709e+00 -1.512814375e+00 -1.700368540e+00 3.56 -1.156707200e+00 -1.488801255e+00 -1.677683358e+00 3.58 -1.131975811e+00 -1.464713800e+00 -1.654715593e+00 3.60 -1.107521777e+00 -1.440583404e+00 -1.631507700e+00 3.62 -1.083355099e+00 -1.416439342e+00 -1.608099632e+00 3.64 -1.059484614e+00 -1.392308884e+00 -1.584528962e+00 3.66 -1.035918075e+00 -1.368217398e+00 -1.560830997e+00 3.68 -1.012662220e+00 -1.344188446e+00 -1.537038884e+00 3.70 -9.897228358e-01 -1.320243885e+00 -1.513183718e+00 3.72 -9.671048248e-01 -1.296403952e+00 -1.489294639e+00 3.74 -9.448122616e-01 -1.272687357e+00 -1.465398931e+00 3.76 -9.228484505e-01 -1.249111357e+00 -1.441522107e+00 3.78 -9.012159783e-01 -1.225691842e+00 -1.417688003e+00 3.80 -8.799167647e-01 -1.202443406e+00 -1.393918859e+00 3.82 -8.589521101e-01 -1.179379418e+00 -1.370235398e+00 3.84 -8.383227399e-01 -1.156512089e+00 -1.346656902e+00 3.86 -8.180288473e-01 -1.133852542e+00 -1.323201287e+00 3.88 -7.980701335e-01 -1.111410867e+00 -1.299885172e+00 3.90 -7.784458451e-01 -1.089196180e+00 -1.276723945e+00 3.92 -7.591548101e-01 -1.067216685e+00 -1.253731827e+00 3.94 -7.401954714e-01 -1.045479719e+00 -1.230921932e+00 3.96 -7.215659188e-01 -1.023991807e+00 -1.208306327e+00 3.98 -7.032639190e-01 -1.002758709e+00 -1.185896085e+00 4.00 -6.852869436e-01 -9.817854657e-01 -1.163701340e+00 4.02 -6.674985098e-01 -9.610764416e-01 -1.141731335e+00 4.04 -6.483004777e-01 -9.406353660e-01 -1.119994474e+00 4.06 -6.212965306e-01 -9.204653728e-01 -1.098498364e+00 4.08 -5.365655875e-01 -9.005690375e-01 -1.077249860e+00 4.10 -5.191138141e-01 -8.809484128e-01 -1.056255108e+00 4.12 -5.068925060e-01 -8.616050622e-01 -1.035519584e+00 4.14 -4.949081697e-01 -8.425400923e-01 -1.015048131e+00 4.16 -4.831584880e-01 -8.237541829e-01 -9.948449979e-01 4.18 -4.716410270e-01 -8.052476163e-01 -9.749138700e-01 4.20 -4.603532478e-01 -7.870203050e-01 -9.552579053e-01 4.22 -4.492925167e-01 -7.690718173e-01 -9.358797638e-01 4.24 -4.384561154e-01 -7.514014028e-01 -9.167816383e-01 4.26 -4.278412498e-01 -7.341792306e-01 -8.979652818e-01 4.28 -4.174450591e-01 -7.208320776e-01 -8.794320352e-01 4.30 -4.072646239e-01 -7.177013287e-01 -8.611828525e-01 4.32 -3.972969736e-01 -7.089946007e-01 -8.432183253e-01 4.34 -3.875390941e-01 -6.892791693e-01 -8.255387058e-01 4.36 -3.779879339e-01 -6.735945812e-01 -8.081439291e-01 4.38 -3.686404108e-01 -6.581146437e-01 -7.910336341e-01 4.40 -3.596684557e-01 -6.428403481e-01 -7.742071829e-01 4.42 -3.538597235e-01 -6.277726876e-01 -7.576636802e-01 4.44 -3.465329843e-01 -6.129126695e-01 -7.414019912e-01 4.46 -2.470037051e-01 -5.982613252e-01 -7.254207582e-01 4.48 -1.118633814e-01 -5.838197185e-01 -7.097184168e-01 4.50 -1.096834863e-01 -5.695889519e-01 -6.942932117e-01 4.52 -1.075434997e-01 -5.555701699e-01 -6.791432105e-01 4.54 -1.054430189e-01 -5.417645608e-01 -6.642663180e-01 4.56 -1.033816252e-01 -5.281733560e-01 -6.496602886e-01 4.58 -1.013588850e-01 -5.147978264e-01 -6.353227394e-01 4.60 -9.937435149e-02 -5.016392774e-01 -6.212511610e-01 4.62 -9.742756614e-02 -4.886990402e-01 -6.074429291e-01 4.64 -9.551805977e-02 -4.759784622e-01 -5.938953148e-01 4.66 -9.364535390e-02 -4.634788942e-01 -5.806054944e-01 4.68 -9.180896191e-02 -4.512016760e-01 -5.675705584e-01 4.70 -9.000839012e-02 -4.391481198e-01 -5.547875209e-01 4.72 -8.824313883e-02 -4.273194926e-01 -5.422533274e-01 4.74 -8.651270325e-02 -4.157169959e-01 -5.299648628e-01 4.76 -8.481657445e-02 -4.043417459e-01 -5.179189586e-01 4.78 -8.315424018e-02 -3.931947514e-01 -5.061124002e-01 4.80 -8.152518569e-02 -3.822768920e-01 -4.945419327e-01 4.82 -7.992889445e-02 -3.715888961e-01 -4.832042681e-01 4.84 -7.836484888e-02 -3.611313192e-01 -4.720960899e-01 4.86 -7.683253098e-02 -3.509045225e-01 -4.612140595e-01 4.88 -7.533142294e-02 -3.409086530e-01 -4.505548206e-01 4.90 -7.386100774e-02 -3.311436249e-01 -4.401150044e-01 4.92 -7.225461826e-02 -3.213304244e-01 -4.298523086e-01 4.94 -6.841918008e-02 -3.078930041e-01 -4.189594531e-01 4.96 -5.696740376e-02 -2.775045819e-01 -3.961093524e-01 4.98 -3.108527700e-02 -1.847141244e-01 -2.866488487e-01 5.00 -5.738104257e-23 -4.466765503e-22 -4.692555981e-22 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 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