# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Fe # implementation = 2017--Choi-W-M--Co-Fe--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Co Co Co Fe Fe Fe 0.02 4.395167296e+02 2.062818656e+03 1.093458967e+03 0.04 4.168386496e+02 1.936328987e+03 1.028796903e+03 0.06 3.952506443e+02 1.817182752e+03 9.682423744e+02 0.08 3.747029435e+02 1.705016082e+03 9.114399487e+02 0.10 3.551479530e+02 1.599468420e+03 8.580843702e+02 0.12 3.365401630e+02 1.500186825e+03 8.079109091e+02 0.14 3.188360610e+02 1.406828925e+03 7.606877387e+02 0.16 3.019940469e+02 1.319064854e+03 7.162099146e+02 0.18 2.859743528e+02 1.236578448e+03 6.742946139e+02 0.20 2.707389651e+02 1.159067886e+03 6.347773644e+02 0.22 2.562515505e+02 1.086245936e+03 5.975090554e+02 0.24 2.424773844e+02 1.017839910e+03 5.623535576e+02 0.26 2.293832828e+02 9.535914199e+02 5.291858264e+02 0.28 2.169375362e+02 8.932559907e+02 4.978903803e+02 0.30 2.051098473e+02 8.366025830e+02 4.683600770e+02 0.32 1.938712704e+02 7.834130554e+02 4.404951204e+02 0.34 1.831941532e+02 7.334815960e+02 4.142022508e+02 0.36 1.730520820e+02 6.866141374e+02 3.893940785e+02 0.38 1.634198276e+02 6.426277710e+02 3.659885299e+02 0.40 1.542732953e+02 6.013501694e+02 3.439083827e+02 0.42 1.455894752e+02 5.626190224e+02 3.230808719e+02 0.44 1.373463958e+02 5.262814919e+02 3.034373512e+02 0.46 1.295230788e+02 4.921936874e+02 2.849129995e+02 0.48 1.220994962e+02 4.602201651e+02 2.674465626e+02 0.50 1.150565289e+02 4.302334497e+02 2.509801245e+02 0.52 1.083759272e+02 4.021135806e+02 2.354589025e+02 0.54 1.020402730e+02 3.757476804e+02 2.208310604e+02 0.56 9.603294339e+01 3.510295473e+02 2.070475398e+02 0.58 9.033807585e+01 3.278592688e+02 1.940619038e+02 0.60 8.494053490e+01 3.061428573e+02 1.818301925e+02 0.62 7.982588024e+01 2.857919057e+02 1.703107892e+02 0.64 7.498033609e+01 2.667232618e+02 1.594642946e+02 0.66 7.039076198e+01 2.488587227e+02 1.492534099e+02 0.68 6.604462457e+01 2.321247444e+02 1.396428253e+02 0.70 6.192997091e+01 2.164521706e+02 1.305991168e+02 0.72 5.803540260e+01 2.017759745e+02 1.220906471e+02 0.74 5.435005124e+01 1.880350173e+02 1.140874729e+02 0.76 5.086355476e+01 1.751718198e+02 1.065612569e+02 0.78 4.756603492e+01 1.631323476e+02 9.948518386e+01 0.80 4.444807560e+01 1.518658082e+02 9.283388207e+01 0.82 4.150070220e+01 1.413244600e+02 8.658334790e+01 0.84 3.871536177e+01 1.314634331e+02 8.071087475e+01 0.86 3.608390407e+01 1.222405595e+02 7.519498535e+01 0.88 3.359856346e+01 1.136162135e+02 7.001536772e+01 0.90 3.125194148e+01 1.055531615e+02 6.515281415e+01 0.92 2.903699033e+01 9.801642097e+01 6.058916348e+01 0.94 2.694699690e+01 9.097312624e+01 5.630724615e+01 0.96 2.497556762e+01 8.439240374e+01 5.229083216e+01 0.98 2.311661391e+01 7.824525344e+01 4.852458154e+01 1.00 2.136433827e+01 7.250443767e+01 4.499399751e+01 1.02 1.971322099e+01 6.714437624e+01 4.168538184e+01 1.04 1.815800742e+01 6.214104781e+01 3.858579265e+01 1.06 1.669369585e+01 5.747189698e+01 3.568300427e+01 1.08 1.531552583e+01 5.311574677e+01 3.296546917e+01 1.10 1.401896710e+01 4.905271639e+01 3.042228186e+01 1.12 1.279970896e+01 4.526414359e+01 2.804314465e+01 1.14 1.165365011e+01 4.173251186e+01 2.581833517e+01 1.16 1.057688897e+01 3.844138160e+01 2.373867553e+01 1.18 9.565714402e+00 3.537532565e+01 2.179550312e+01 1.20 8.616596848e+00 3.251986835e+01 1.998064289e+01 1.22 7.726179899e+00 2.986142836e+01 1.828638110e+01 1.24 6.891272206e+00 2.738726479e+01 1.670544038e+01 1.26 6.108839776e+00 2.508542652e+01 1.523095614e+01 1.28 5.375998619e+00 2.294470456e+01 1.385645420e+01 1.30 4.690007722e+00 2.095458711e+01 1.257582956e+01 1.32 4.048262359e+00 1.910521746e+01 1.138332632e+01 1.34 3.448287696e+00 1.738735424e+01 1.027351859e+01 1.36 2.887732712e+00 1.579233409e+01 9.241292494e+00 1.38 2.364364385e+00 1.431203658e+01 8.281829037e+00 1.40 1.876062180e+00 1.293885114e+01 7.390587929e+00 1.42 1.420812777e+00 1.166564606e+01 6.563292226e+00 1.44 9.967050707e-01 1.048573923e+01 5.795913811e+00 1.46 6.019254124e-01 9.392870758e+00 5.084659630e+00 1.48 2.347530862e-01 8.381177098e+00 4.425958659e+00 1.50 -1.064439792e-01 7.445166832e+00 3.816449578e+00 1.52 -4.232132839e-01 6.579697835e+00 3.252969077e+00 1.54 -7.170216072e-01 5.779955869e+00 2.732540817e+00 1.56 -9.892586615e-01 5.041434408e+00 2.252364952e+00 1.58 -1.241240534e+00 4.359915745e+00 1.809808241e+00 1.60 -1.474212945e+00 3.731453171e+00 1.402394665e+00 1.62 -1.689354311e+00 3.152354294e+00 1.027796575e+00 1.64 -1.887778636e+00 2.619165320e+00 6.838262918e-01 1.66 -2.070538215e+00 2.128656315e+00 3.684281858e-01 1.68 -2.238626191e+00 1.677807347e+00 7.967116584e-02 1.70 -2.392978935e+00 1.263795471e+00 -1.842584123e-01 1.72 -2.534478288e+00 8.839825085e-01 -4.250634529e-01 1.74 -2.663953658e+00 5.359035545e-01 -6.443424660e-01 1.76 -2.782183993e+00 2.172561947e-01 -8.435955558e-01 1.78 -2.889899628e+00 -7.410964851e-02 -1.024230093e+00 1.80 -2.987784041e+00 -3.402012392e-01 -1.187566060e+00 1.82 -3.076475511e+00 -5.828920101e-01 -1.334841117e+00 1.84 -3.156568708e+00 -8.039299949e-01 -1.467215371e+00 1.86 -3.228616236e+00 -1.004945791e+00 -1.585775894e+00 1.88 -3.293130133e+00 -1.187460054e+00 -1.691540978e+00 1.90 -3.350583365e+00 -1.352890586e+00 -1.785464161e+00 1.92 -3.401411323e+00 -1.502559035e+00 -1.868438020e+00 1.94 -3.446013353e+00 -1.637697235e+00 -1.941297754e+00 1.96 -3.484754337e+00 -1.759453235e+00 -2.004824560e+00 1.98 -3.517966337e+00 -1.868897003e+00 -2.059748821e+00 2.00 -3.545950338e+00 -1.967025871e+00 -2.106753111e+00 2.02 -3.568978104e+00 -2.054769675e+00 -2.146475024e+00 2.04 -3.587294169e+00 -2.132995635e+00 -2.179509840e+00 2.06 -3.601117980e+00 -2.202512923e+00 -2.206413038e+00 2.08 -3.610646239e+00 -2.264076903e+00 -2.227702662e+00 2.10 -3.616055434e+00 -2.318392966e+00 -2.243861539e+00 2.12 -3.617504614e+00 -2.366119884e+00 -2.255339377e+00 2.14 -3.615138385e+00 -2.407872557e+00 -2.262554726e+00 2.16 -3.609090148e+00 -2.444224003e+00 -2.265896828e+00 2.18 -3.599485525e+00 -2.475706420e+00 -2.265727344e+00 2.20 -3.586445910e+00 -2.502811107e+00 -2.262381982e+00 2.22 -3.570092037e+00 -2.525987073e+00 -2.256172022e+00 2.24 -3.550547410e+00 -2.545638159e+00 -2.247385734e+00 2.26 -3.527941413e+00 -2.562118623e+00 -2.236289719e+00 2.28 -3.502411899e+00 -2.575727288e+00 -2.223130152e+00 2.30 -3.474107069e+00 -2.586700641e+00 -2.208133946e+00 2.32 -3.443186484e+00 -2.595205635e+00 -2.191509839e+00 2.34 -3.409821104e+00 -2.601333440e+00 -2.173449408e+00 2.36 -3.374192356e+00 -2.605095855e+00 -2.154128015e+00 2.38 -3.336490289e+00 -2.606426474e+00 -2.133705685e+00 2.40 -3.296910983e+00 -2.605188689e+00 -2.112327935e+00 2.42 -3.255653424e+00 -2.601192005e+00 -2.090126539e+00 2.44 -3.212916117e+00 -2.594216774e+00 -2.067220254e+00 2.46 -3.168893703e+00 -2.584045414e+00 -2.043715496e+00 2.48 -3.123773831e+00 -2.570496046e+00 -2.019706990e+00 2.50 -3.077734488e+00 -2.553453053e+00 -1.995278380e+00 2.52 -3.030941931e+00 -2.532889171e+00 -1.970502830e+00 2.54 -2.983549293e+00 -2.508875534e+00 -1.945443598e+00 2.56 -2.935695861e+00 -2.481579046e+00 -1.920154617e+00 2.58 -2.887506986e+00 -2.451249208e+00 -1.894681067e+00 2.60 -2.839094513e+00 -2.418198234e+00 -1.869059969e+00 2.62 -2.790557623e+00 -2.382778454e+00 -1.843320796e+00 2.64 -2.741983937e+00 -2.345360259e+00 -1.817486102e+00 2.66 -2.693450771e+00 -2.306312712e+00 -1.791572206e+00 2.68 -2.645026413e+00 -2.265987971e+00 -1.765589897e+00 2.70 -2.596771353e+00 -2.224709982e+00 -1.739545194e+00 2.72 -2.548739388e+00 -2.182767371e+00 -1.713440151e+00 2.74 -2.500978587e+00 -2.140410131e+00 -1.687273700e+00 2.76 -2.453532090e+00 -2.097849427e+00 -1.661042530e+00 2.78 -2.406438760e+00 -2.055259749e+00 -1.634741998e+00 2.80 -2.359733700e+00 -2.012782594e+00 -1.608367038e+00 2.82 -2.313448658e+00 -1.970530961e+00 -1.581913072e+00 2.84 -2.267612349e+00 -1.928594071e+00 -1.555376873e+00 2.86 -2.222250717e+00 -1.887041878e+00 -1.528757376e+00 2.88 -2.177387139e+00 -1.845929111e+00 -1.502056394e+00 2.90 -2.133042619e+00 -1.805298684e+00 -1.475279210e+00 2.92 -2.089235935e+00 -1.765184467e+00 -1.448435033e+00 2.94 -2.045983794e+00 -1.725613432e+00 -1.421537276e+00 2.96 -2.003300959e+00 -1.686607262e+00 -1.394603656e+00 2.98 -1.961200376e+00 -1.648183523e+00 -1.367656104e+00 3.00 -1.919693289e+00 -1.610356498e+00 -1.340720481e+00 3.02 -1.878789351e+00 -1.573137774e+00 -1.313826135e+00 3.04 -1.838496730e+00 -1.536536657e+00 -1.287005290e+00 3.06 -1.798822205e+00 -1.500560470e+00 -1.260292329e+00 3.08 -1.759771257e+00 -1.465214777e+00 -1.233722991e+00 3.10 -1.721348162e+00 -1.430503565e+00 -1.207333529e+00 3.12 -1.683556071e+00 -1.396429389e+00 -1.181159871e+00 3.14 -1.646397086e+00 -1.362993502e+00 -1.155236824e+00 3.16 -1.609872340e+00 -1.330195972e+00 -1.129597366e+00 3.18 -1.573982062e+00 -1.298035787e+00 -1.104272030e+00 3.20 -1.538725643e+00 -1.266510951e+00 -1.079288431e+00 3.22 -1.504101701e+00 -1.235618578e+00 -1.054670926e+00 3.24 -1.470108140e+00 -1.205354972e+00 -1.030440414e+00 3.26 -1.436742199e+00 -1.175715705e+00 -1.006614275e+00 3.28 -1.404000513e+00 -1.146695693e+00 -9.832064244e-01 3.30 -1.371879156e+00 -1.118289255e+00 -9.602274778e-01 3.32 -1.340373687e+00 -1.090490183e+00 -9.376849901e-01 3.34 -1.309479199e+00 -1.063291796e+00 -9.155837551e-01 3.36 -1.279190354e+00 -1.036686991e+00 -8.939261377e-01 3.38 -1.249501424e+00 -1.010668294e+00 -8.727124191e-01 3.40 -1.220406328e+00 -9.852279076e-01 -8.519411362e-01 3.42 -1.191898664e+00 -9.603577477e-01 -8.316094004e-01 3.44 -1.163971742e+00 -9.360494867e-01 -8.117131863e-01 3.46 -1.136618613e+00 -9.122945874e-01 -7.922475831e-01 3.48 -1.109832099e+00 -8.890843359e-01 -7.732070070e-01 3.50 -1.083604818e+00 -8.664098720e-01 -7.545853759e-01 3.52 -1.057929209e+00 -8.442622172e-01 -7.363762472e-01 3.54 -1.032797553e+00 -8.226322999e-01 -7.185729260e-01 3.56 -1.008201998e+00 -8.015109794e-01 -7.011685460e-01 3.58 -9.841345783e-01 -7.808890668e-01 -6.841561310e-01 3.60 -9.605872300e-01 -7.607573451e-01 -6.675286391e-01 3.62 -9.375518132e-01 -7.411065873e-01 -6.512789963e-01 3.64 -9.150201256e-01 -7.219275723e-01 -6.354001208e-01 3.66 -8.929839187e-01 -7.032111003e-01 -6.198849416e-01 3.68 -8.714349115e-01 -6.849480063e-01 -6.047264132e-01 3.70 -8.503648040e-01 -6.671291722e-01 -5.899175273e-01 3.72 -8.297652894e-01 -6.497455381e-01 -5.754513226e-01 3.74 -8.096280655e-01 -6.327881127e-01 -5.613208929e-01 3.76 -7.899448447e-01 -6.162479816e-01 -5.475193947e-01 3.78 -7.707073647e-01 -6.001163162e-01 -5.340400532e-01 3.80 -7.519073963e-01 -5.843843805e-01 -5.208761681e-01 3.82 -7.335367526e-01 -5.690435377e-01 -5.080211185e-01 3.84 -7.155872960e-01 -5.540852559e-01 -4.954683668e-01 3.86 -6.980509455e-01 -5.395011132e-01 -4.832114632e-01 3.88 -6.809196828e-01 -5.252828018e-01 -4.712440482e-01 3.90 -6.641855583e-01 -5.114221325e-01 -4.595598559e-01 3.92 -6.463363713e-01 -4.966981413e-01 -4.469731656e-01 3.94 -6.084459942e-01 -4.659125150e-01 -4.187078979e-01 3.96 -5.022237860e-01 -3.810060796e-01 -3.384588701e-01 3.98 -2.695172814e-01 -1.999282798e-01 -1.712173698e-01 4.00 -3.358486787e-27 -2.240282368e-27 -1.515144828e-27 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 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