# 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 = Co3Ni # 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 3.247507042e+02 nan nan 0.86 3.023012814e+02 nan nan 0.88 2.812906579e+02 nan nan 0.90 2.616304636e+02 nan nan 0.92 2.432375932e+02 3.019414359e+02 nan 0.94 2.260339018e+02 2.827355597e+02 3.649607303e+02 0.96 2.099459185e+02 2.646576505e+02 3.431506033e+02 0.98 1.949045745e+02 2.476443653e+02 3.224663924e+02 1.00 1.808449470e+02 2.316358112e+02 3.028576584e+02 1.02 1.677060172e+02 2.165753622e+02 2.842764999e+02 1.04 1.554304416e+02 2.024094856e+02 2.666772914e+02 1.06 1.439643363e+02 1.890875767e+02 2.500164477e+02 1.08 1.332570739e+02 1.765618028e+02 2.342522178e+02 1.10 1.232610912e+02 1.647869553e+02 2.193445066e+02 1.12 1.139317089e+02 1.537203089e+02 2.052547262e+02 1.14 1.052269605e+02 1.433214893e+02 1.919456726e+02 1.16 9.710743201e+01 1.335523463e+02 1.793814289e+02 1.18 8.953611033e+01 1.243768350e+02 1.675272880e+02 1.20 8.247824078e+01 1.157609025e+02 1.563496968e+02 1.22 7.590119257e+01 1.076723805e+02 1.458162136e+02 1.24 6.977433234e+01 1.000808839e+02 1.358954800e+02 1.26 6.406890491e+01 9.295771444e+01 1.265572013e+02 1.28 5.875792116e+01 8.627576971e+01 1.177721342e+02 1.30 5.381605223e+01 8.000945668e+01 1.095120786e+02 1.32 4.921953020e+01 7.413460995e+01 1.017498723e+02 1.34 4.494605435e+01 6.862841433e+01 9.445938572e+01 1.36 4.097470310e+01 6.346933150e+01 8.761551720e+01 1.38 3.728585104e+01 5.863703053e+01 8.119418555e+01 1.40 3.386109084e+01 5.411232216e+01 7.517232119e+01 1.42 3.068315987e+01 4.987709651e+01 6.952785441e+01 1.44 2.773587103e+01 4.591426412e+01 6.423970087e+01 1.46 2.500404772e+01 4.220770020e+01 5.928774433e+01 1.48 2.247346270e+01 3.874219176e+01 5.465281655e+01 1.50 2.013078049e+01 3.550338761e+01 5.031667481e+01 1.52 1.796350328e+01 3.247775107e+01 4.626197717e+01 1.54 1.595991995e+01 2.965251514e+01 4.247225579e+01 1.56 1.410905820e+01 2.701564015e+01 3.893188870e+01 1.58 1.240063952e+01 2.455577363e+01 3.562607035e+01 1.60 1.082503678e+01 2.226221236e+01 3.254078123e+01 1.62 9.373234459e+00 2.012486647e+01 2.966275694e+01 1.64 8.036791102e+00 1.813422546e+01 2.697945689e+01 1.66 6.807804176e+00 1.628132607e+01 2.447903299e+01 1.68 5.678876913e+00 1.455772187e+01 2.215029849e+01 1.70 4.643087206e+00 1.295545451e+01 1.998269725e+01 1.72 3.693958326e+00 1.146702654e+01 1.796627345e+01 1.74 2.825431437e+00 1.008537566e+01 1.609164206e+01 1.76 2.031839728e+00 8.803850383e+00 1.434996007e+01 1.78 1.307884134e+00 7.616187102e+00 1.273289858e+01 1.80 6.486104853e-01 6.516488275e+00 1.123261587e+01 1.82 4.938807424e-02 5.499201891e+00 9.841731428e+00 1.84 -4.941105200e-01 4.559102033e+00 8.553301016e+00 1.86 -9.859283556e-01 3.691270493e+00 7.360792802e+00 1.88 -1.429841931e+00 2.891079409e+00 6.258064512e+00 1.90 -1.829377887e+00 2.154174847e+00 5.239341638e+00 1.92 -2.187828711e+00 1.476461284e+00 4.299196682e+00 1.94 -2.508267474e+00 8.540869435e-01 3.432529419e+00 1.96 -2.793561678e+00 2.834299463e-01 2.634548144e+00 1.98 -3.046386252e+00 -2.389147877e-01 1.900751884e+00 2.00 -3.269235763e+00 -7.161479047e-01 1.226913548e+00 2.02 -3.464435869e+00 -1.151277302e+00 6.090639675e-01 2.04 -3.634154077e+00 -1.547129168e+00 4.347680583e-02 2.06 -3.780409841e+00 -1.906358406e+00 -4.733457089e-01 2.08 -3.905084035e+00 -2.231458484e+00 -9.446862574e-01 2.10 -4.009927847e+00 -2.524770733e+00 -1.373625150e+00 2.12 -4.096571118e+00 -2.788493128e+00 -1.763052328e+00 2.14 -4.166530177e+00 -3.024688581e+00 -2.115678684e+00 2.16 -4.221215177e+00 -3.235292773e+00 -2.434046731e+00 2.18 -4.261936989e+00 -3.422121541e+00 -2.720540659e+00 2.20 -4.289913654e+00 -3.586877855e+00 -2.977395811e+00 2.22 -4.306276450e+00 -3.731158409e+00 -3.206707604e+00 2.24 -4.312075565e+00 -3.856459831e+00 -3.410439933e+00 2.26 -4.308285428e+00 -3.964184551e+00 -3.590433081e+00 2.28 -4.295809693e+00 -4.055646336e+00 -3.748411165e+00 2.30 -4.275485924e+00 -4.132075515e+00 -3.885989146e+00 2.32 -4.248089978e+00 -4.194623902e+00 -4.004679421e+00 2.34 -4.214340112e+00 -4.244369447e+00 -4.105898031e+00 2.36 -4.174900831e+00 -4.282320618e+00 -4.190970497e+00 2.38 -4.130386494e+00 -4.309420541e+00 -4.261137312e+00 2.40 -4.081364693e+00 -4.326550894e+00 -4.317559110e+00 2.42 -4.028359411e+00 -4.334535587e+00 -4.361321520e+00 2.44 -3.971853985e+00 -4.334144230e+00 -4.393439740e+00 2.46 -3.912293876e+00 -4.326095400e+00 -4.414862834e+00 2.48 -3.850089261e+00 -4.311059722e+00 -4.426477776e+00 2.50 -3.785617467e+00 -4.289662775e+00 -4.429113246e+00 2.52 -3.719225233e+00 -4.262487827e+00 -4.423543213e+00 2.54 -3.651230842e+00 -4.230078415e+00 -4.410490285e+00 2.56 -3.581926103e+00 -4.192940775e+00 -4.390628878e+00 2.58 -3.511578212e+00 -4.151546130e+00 -4.364588183e+00 2.60 -3.440431488e+00 -4.106332849e+00 -4.332954959e+00 2.62 -3.368708994e+00 -4.057708475e+00 -4.296276159e+00 2.64 -3.296614062e+00 -4.006051639e+00 -4.255061397e+00 2.66 -3.224331700e+00 -3.951713863e+00 -4.209785271e+00 2.68 -3.152029927e+00 -3.895021252e+00 -4.160889538e+00 2.70 -3.079861002e+00 -3.836276091e+00 -4.108785166e+00 2.72 -3.007962582e+00 -3.775758350e+00 -4.053854259e+00 2.74 -2.936458798e+00 -3.713727104e+00 -3.996451864e+00 2.76 -2.865461265e+00 -3.650421832e+00 -3.936907670e+00 2.78 -2.795070015e+00 -3.586063689e+00 -3.875527607e+00 2.80 -2.725374376e+00 -3.520856713e+00 -3.812595341e+00 2.82 -2.656453785e+00 -3.454988889e+00 -3.748373682e+00 2.84 -2.588378553e+00 -3.388633206e+00 -3.683105906e+00 2.86 -2.521210571e+00 -3.321948633e+00 -3.617016995e+00 2.88 -2.455003969e+00 -3.255081040e+00 -3.550314802e+00 2.90 -2.389805736e+00 -3.188164063e+00 -3.483191138e+00 2.92 -2.325656287e+00 -3.121319917e+00 -3.415822802e+00 2.94 -2.262589999e+00 -3.054660156e+00 -3.348372539e+00 2.96 -2.200635708e+00 -2.988286394e+00 -3.280989938e+00 2.98 -2.139817166e+00 -2.922290975e+00 -3.213812283e+00 3.00 -2.080153473e+00 -2.856757604e+00 -3.146965337e+00 3.02 -2.021659474e+00 -2.791761945e+00 -3.080564088e+00 3.04 -1.964346129e+00 -2.727372174e+00 -3.014713442e+00 3.06 -1.908220855e+00 -2.663649502e+00 -2.949508873e+00 3.08 -1.853287848e+00 -2.600648666e+00 -2.885037036e+00 3.10 -1.799548374e+00 -2.538418386e+00 -2.821376334e+00 3.12 -1.747001047e+00 -2.477001799e+00 -2.758614407e+00 3.14 -1.695642081e+00 -2.416436862e+00 -2.698695615e+00 3.16 -1.645465525e+00 -2.356756727e+00 -2.649785975e+00 3.18 -1.596463480e+00 -2.297990101e+00 -2.608440741e+00 3.20 -1.548626303e+00 -2.240161575e+00 -2.549555750e+00 3.22 -1.501942789e+00 -2.183291934e+00 -2.491428916e+00 3.24 -1.456400346e+00 -2.127398449e+00 -2.434444049e+00 3.26 -1.411985149e+00 -2.072495150e+00 -2.378631140e+00 3.28 -1.368682293e+00 -2.018593079e+00 -2.324015593e+00 3.30 -1.326475922e+00 -1.965700528e+00 -2.270618506e+00 3.32 -1.285349354e+00 -1.913823264e+00 -2.218456924e+00 3.34 -1.245285197e+00 -1.862964734e+00 -2.167544083e+00 3.36 -1.206265453e+00 -1.813126260e+00 -2.117889623e+00 3.38 -1.168271612e+00 -1.764307220e+00 -2.069499793e+00 3.40 -1.131284744e+00 -1.716505218e+00 -2.022377635e+00 3.42 -1.095285575e+00 -1.669716242e+00 -1.976523153e+00 3.44 -1.060254565e+00 -1.623934807e+00 -1.931933461e+00 3.46 -1.026171973e+00 -1.579154097e+00 -1.888602918e+00 3.48 -9.930179195e-01 -1.535366092e+00 -1.846523240e+00 3.50 -9.607724421e-01 -1.492561682e+00 -1.805683594e+00 3.52 -9.294155457e-01 -1.450730783e+00 -1.766070675e+00 3.54 -8.989272492e-01 -1.409862437e+00 -1.727668753e+00 3.56 -8.692876272e-01 -1.369944906e+00 -1.690459709e+00 3.58 -8.404768470e-01 -1.330965764e+00 -1.654423039e+00 3.60 -8.124760010e-01 -1.292911976e+00 -1.619535843e+00 3.62 -7.860115855e-01 -1.255769978e+00 -1.585772789e+00 3.64 -8.075607993e-01 -1.219525740e+00 -1.553106075e+00 3.66 -1.036547057e+00 -1.184164842e+00 -1.521505370e+00 3.68 -1.026550514e+00 -1.149672524e+00 -1.490937772e+00 3.70 -1.004710441e+00 -1.116033748e+00 -1.461367772e+00 3.72 -9.832947222e-01 -1.083233247e+00 -1.432757263e+00 3.74 -9.622989511e-01 -1.051255575e+00 -1.405065580e+00 3.76 -9.417182582e-01 -1.020085145e+00 -1.378249633e+00 3.78 -9.215474128e-01 -9.897062754e-01 -1.352264099e+00 3.80 -9.017809068e-01 -9.601032233e-01 -1.327061739e+00 3.82 -8.824130249e-01 -9.312678159e-01 -1.302593804e+00 3.84 -8.634378988e-01 -9.038656533e-01 -1.278810565e+00 3.86 -8.448495502e-01 -8.804859562e-01 -1.255661940e+00 3.88 -8.266419235e-01 -8.582871452e-01 -1.233098207e+00 3.90 -8.088089112e-01 -8.298140714e-01 -1.211070783e+00 3.92 -7.913443730e-01 -8.054097782e-01 -1.189533009e+00 3.94 -7.742396420e-01 -7.816063769e-01 -1.168440934e+00 3.96 -7.553443615e-01 -7.583913275e-01 -1.147754017e+00 3.98 -7.170751217e-01 -7.357521805e-01 -1.127435735e+00 4.00 -6.087397379e-01 -7.136765898e-01 -1.107454039e+00 4.02 -3.781606699e-01 -6.921523244e-01 -1.087781641e+00 4.04 -3.400667706e-01 -6.711672798e-01 -1.068396114e+00 4.06 -3.318473343e-01 -6.507094873e-01 -1.049279815e+00 4.08 -3.238154332e-01 -6.307671229e-01 -1.030419621e+00 4.10 -3.159674284e-01 -6.113285147e-01 -1.011806531e+00 4.12 -3.082997139e-01 -5.923821502e-01 -9.934351392e-01 4.14 -3.008087190e-01 -5.739166825e-01 -9.753030460e-01 4.16 -2.934909104e-01 -5.559209350e-01 -9.574102209e-01 4.18 -2.863427936e-01 -5.383839067e-01 -9.397583755e-01 4.20 -2.793609150e-01 -5.212947757e-01 -9.223503698e-01 4.22 -2.725418632e-01 -5.046429030e-01 -9.051896817e-01 4.24 -2.658822702e-01 -4.884178351e-01 -8.882799571e-01 4.26 -2.593788127e-01 -4.726093063e-01 -8.716246516e-01 4.28 -2.530282130e-01 -4.572072406e-01 -8.552267650e-01 4.30 -2.468272399e-01 -4.422017534e-01 -8.390886652e-01 4.32 -2.407727096e-01 -4.275831520e-01 -8.232119903e-01 4.34 -2.348614861e-01 -4.133419369e-01 -8.075976176e-01 4.36 -2.290904818e-01 -3.994688014e-01 -7.922456825e-01 4.38 -2.234566580e-01 -3.859546323e-01 -7.771556350e-01 4.40 -2.179570250e-01 -3.727905092e-01 -7.623263178e-01 4.42 -2.121201158e-01 -3.594558498e-01 -7.472908793e-01 4.44 -2.000364871e-01 -3.394937242e-01 -7.253532559e-01 4.46 -1.663688020e-01 -2.937758609e-01 -6.657598863e-01 4.48 -9.110066572e-02 -1.801907275e-01 -4.517385956e-01 4.50 -6.370990020e-23 -3.514418918e-22 -3.119742487e-22 4.52 0.000000000e+00 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