# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Cr # implementation = 2017--Choi-W-M--Co-Cr--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 Cr Cr Cr 0.02 4.395167296e+02 1.524251007e+03 3.773767910e+03 0.04 4.168386496e+02 1.436424712e+03 3.543057338e+03 0.06 3.952506443e+02 1.353232727e+03 3.326204123e+03 0.08 3.747029435e+02 1.274484552e+03 3.122318584e+03 0.10 3.551479530e+02 1.199984969e+03 2.930586669e+03 0.12 3.365401630e+02 1.129538047e+03 2.750259619e+03 0.14 3.188360610e+02 1.062950002e+03 2.580645581e+03 0.16 3.019940469e+02 1.000031188e+03 2.421102761e+03 0.18 2.859743528e+02 9.405974562e+02 2.271033813e+03 0.20 2.707389651e+02 8.844710232e+02 2.129881195e+03 0.22 2.562515505e+02 8.314810052e+02 1.997123306e+03 0.24 2.424773844e+02 7.814636916e+02 1.872271227e+03 0.26 2.293832828e+02 7.342626385e+02 1.754865959e+03 0.28 2.169375362e+02 6.897286339e+02 1.644476050e+03 0.30 2.051098473e+02 6.477195729e+02 1.540695534e+03 0.32 1.938712704e+02 6.081002730e+02 1.443142125e+03 0.34 1.831941532e+02 5.707422492e+02 1.351455616e+03 0.36 1.730520820e+02 5.355234659e+02 1.265296441e+03 0.38 1.634198276e+02 5.023280752e+02 1.184344390e+03 0.40 1.542732953e+02 4.710461496e+02 1.108297421e+03 0.42 1.455894752e+02 4.415734158e+02 1.036870588e+03 0.44 1.373463958e+02 4.138109915e+02 9.697950398e+02 0.46 1.295230788e+02 3.876651292e+02 9.068170977e+02 0.48 1.220994962e+02 3.630469681e+02 8.476973961e+02 0.50 1.150565289e+02 3.398722943e+02 7.922100776e+02 0.52 1.083759272e+02 3.180613114e+02 7.401420398e+02 0.54 1.020402730e+02 2.975384161e+02 6.912922276e+02 0.56 9.603294339e+01 2.782319909e+02 6.454709667e+02 0.58 9.033807585e+01 2.600742107e+02 6.024993353e+02 0.60 8.494053490e+01 2.430008492e+02 5.622085722e+02 0.62 7.982588024e+01 2.269511002e+02 5.244395269e+02 0.64 7.498033609e+01 2.118673995e+02 4.890421242e+02 0.66 7.039076198e+01 1.976952521e+02 4.558748491e+02 0.68 6.604462457e+01 1.843830771e+02 4.248042782e+02 0.70 6.192997091e+01 1.718820590e+02 3.957046330e+02 0.72 5.803540260e+01 1.601460006e+02 3.684573475e+02 0.74 5.435005124e+01 1.491311993e+02 3.429506882e+02 0.76 5.086355476e+01 1.387963208e+02 3.190793807e+02 0.78 4.756603492e+01 1.291022759e+02 2.967442476e+02 0.80 4.444807560e+01 1.200121036e+02 2.758518675e+02 0.82 4.150070220e+01 1.114908662e+02 2.563142640e+02 0.84 3.871536177e+01 1.035055389e+02 2.380485917e+02 0.86 3.608390407e+01 9.602490290e+01 2.209768330e+02 0.88 3.359856346e+01 8.901945233e+01 2.050255298e+02 0.90 3.125194148e+01 8.246130535e+01 1.901255284e+02 0.92 2.903699033e+01 7.632411966e+01 1.762117386e+02 0.94 2.694699690e+01 7.058300601e+01 1.632228924e+02 0.96 2.497556762e+01 6.521445401e+01 1.511013332e+02 0.98 2.311661391e+01 6.019626830e+01 1.397928286e+02 1.00 2.136433827e+01 5.550749822e+01 1.292463751e+02 1.02 1.971322099e+01 5.112837085e+01 1.194140120e+02 1.04 1.815800742e+01 4.704022748e+01 1.102506464e+02 1.06 1.669369585e+01 4.322546371e+01 1.017138885e+02 1.08 1.531552583e+01 3.966747861e+01 9.376390802e+01 1.10 1.401896710e+01 3.635061995e+01 8.636328495e+01 1.12 1.279970896e+01 3.326012326e+01 7.947685145e+01 1.14 1.165365011e+01 3.038206408e+01 7.307156195e+01 1.16 1.057688897e+01 2.770331320e+01 6.711637180e+01 1.18 9.565714402e+00 2.521149413e+01 6.158212254e+01 1.20 8.616596848e+00 2.289494261e+01 5.644143328e+01 1.22 7.726179899e+00 2.074266813e+01 5.166859789e+01 1.24 6.891272206e+00 1.874431237e+01 4.723947775e+01 1.26 6.108839776e+00 1.689011179e+01 4.313140456e+01 1.28 5.375998619e+00 1.517087606e+01 3.932311658e+01 1.30 4.690007722e+00 1.357795723e+01 3.579467737e+01 1.32 4.048262359e+00 1.210321900e+01 3.252739655e+01 1.34 3.448287696e+00 1.073900785e+01 2.950375509e+01 1.36 2.887732712e+00 9.478125670e+00 2.670733503e+01 1.38 2.364364385e+00 8.313803939e+00 2.412275334e+01 1.40 1.876062180e+00 7.239679298e+00 2.173559966e+01 1.42 1.420812777e+00 6.249772205e+00 1.953238111e+01 1.44 9.967050707e-01 5.338473619e+00 1.750048422e+01 1.46 6.019254124e-01 4.500514563e+00 1.562810323e+01 1.48 2.347530862e-01 3.730942000e+00 1.390418180e+01 1.50 -1.064439792e-01 3.025101226e+00 1.231836870e+01 1.52 -4.232132839e-01 2.378619148e+00 1.086097586e+01 1.54 -7.170216072e-01 1.787388402e+00 9.522938795e+00 1.56 -9.892586615e-01 1.247552254e+00 8.295779213e+00 1.58 -1.241240534e+00 7.554902600e-01 7.171569730e+00 1.60 -1.474212945e+00 3.078046471e-01 6.142900521e+00 1.62 -1.689354311e+00 -9.869261902e-02 5.202847909e+00 1.64 -1.887778636e+00 -4.669949941e-01 4.344938900e+00 1.66 -2.070538215e+00 -7.999210020e-01 3.563107148e+00 1.68 -2.238626191e+00 -1.100113682e+00 2.851690016e+00 1.70 -2.392978935e+00 -1.370048003e+00 2.205409981e+00 1.72 -2.534478288e+00 -1.612041532e+00 1.619349871e+00 1.74 -2.663953658e+00 -1.828264514e+00 1.088929624e+00 1.76 -2.782183993e+00 -2.020749398e+00 6.098845216e-01 1.78 -2.889899628e+00 -2.191399840e+00 1.782447498e-01 1.80 -2.987784041e+00 -2.341999203e+00 -2.096837338e-01 1.82 -3.076475511e+00 -2.474218601e+00 -5.573371634e-01 1.84 -3.156568708e+00 -2.589624470e+00 -8.679107827e-01 1.86 -3.228616236e+00 -2.689685695e+00 -1.144374625e+00 1.88 -3.293130133e+00 -2.775780006e+00 -1.389487728e+00 1.90 -3.350583365e+00 -2.849192205e+00 -1.605795955e+00 1.92 -3.401411323e+00 -2.911120858e+00 -1.795647011e+00 1.94 -3.446013353e+00 -2.962693946e+00 -1.961223863e+00 1.96 -3.484754337e+00 -3.004973332e+00 -2.104556243e+00 1.98 -3.517966337e+00 -3.038957827e+00 -2.227530281e+00 2.00 -3.545950338e+00 -3.065585301e+00 -2.331897588e+00 2.02 -3.568978104e+00 -3.085733569e+00 -2.419283809e+00 2.04 -3.587294169e+00 -3.100219734e+00 -2.491196682e+00 2.06 -3.601117980e+00 -3.109797616e+00 -2.549033616e+00 2.08 -3.610646239e+00 -3.115152872e+00 -2.594088831e+00 2.10 -3.616055434e+00 -3.116895469e+00 -2.627560059e+00 2.12 -3.617504614e+00 -3.115549344e+00 -2.650554856e+00 2.14 -3.615138385e+00 -3.111539488e+00 -2.664096520e+00 2.16 -3.609090148e+00 -3.105177329e+00 -2.669129653e+00 2.18 -3.599485525e+00 -3.096649397e+00 -2.666531432e+00 2.20 -3.586445910e+00 -3.086015624e+00 -2.657134912e+00 2.22 -3.570092037e+00 -3.073194802e+00 -2.641709696e+00 2.24 -3.550547410e+00 -3.057971849e+00 -2.620958812e+00 2.26 -3.527941413e+00 -3.040027536e+00 -2.595523589e+00 2.28 -3.502411899e+00 -3.018988142e+00 -2.565988152e+00 2.30 -3.474107069e+00 -2.994490772e+00 -2.532883579e+00 2.32 -3.443186484e+00 -2.966253067e+00 -2.496691704e+00 2.34 -3.409821104e+00 -2.934131088e+00 -2.457848602e+00 2.36 -3.374192356e+00 -2.898150231e+00 -2.416747735e+00 2.38 -3.336490289e+00 -2.858502273e+00 -2.373742766e+00 2.40 -3.296910983e+00 -2.815513507e+00 -2.329150029e+00 2.42 -3.255653424e+00 -2.769597910e+00 -2.283250623e+00 2.44 -3.212916117e+00 -2.721210655e+00 -2.236292092e+00 2.46 -3.168893703e+00 -2.670808432e+00 -2.188489621e+00 2.48 -3.123773831e+00 -2.618816872e+00 -2.140026662e+00 2.50 -3.077734488e+00 -2.565629413e+00 -2.091054705e+00 2.52 -3.030941931e+00 -2.511603796e+00 -2.041679258e+00 2.54 -2.983549293e+00 -2.457058393e+00 -1.991948579e+00 2.56 -2.935695861e+00 -2.402270743e+00 -1.941875373e+00 2.58 -2.887506986e+00 -2.347477843e+00 -1.891432841e+00 2.60 -2.839094513e+00 -2.292878004e+00 -1.840544243e+00 2.62 -2.790557623e+00 -2.238634020e+00 -1.789067784e+00 2.64 -2.741983937e+00 -2.184877235e+00 -1.736774866e+00 2.66 -2.693450771e+00 -2.131712058e+00 -1.683319131e+00 2.68 -2.645026413e+00 -2.079220492e+00 -1.628193180e+00 2.70 -2.596771353e+00 -2.027466361e+00 -1.570670212e+00 2.72 -2.548739388e+00 -1.976499034e+00 -1.509730815e+00 2.74 -2.500978587e+00 -1.926356543e+00 -1.443985045e+00 2.76 -2.453532090e+00 -1.877068105e+00 -1.371625162e+00 2.78 -2.406438760e+00 -1.828656072e+00 -1.290497072e+00 2.80 -2.359733700e+00 -1.781137410e+00 -1.198462045e+00 2.82 -2.313448658e+00 -1.734524780e+00 -1.094280764e+00 2.84 -2.267612349e+00 -1.688827326e+00 -9.790942501e-01 2.86 -2.222250717e+00 -1.644051238e+00 -8.579222549e-01 2.88 -2.177387139e+00 -1.600200158e+00 -7.396929319e-01 2.90 -2.133042619e+00 -1.557275498e+00 -6.345935586e-01 2.92 -2.089235935e+00 -1.515276673e+00 -5.499238425e-01 2.94 -2.045983794e+00 -1.474201314e+00 -4.875677007e-01 2.96 -2.003300959e+00 -1.434045433e+00 -4.446578687e-01 2.98 -1.961200376e+00 -1.394803590e+00 -4.160846998e-01 3.00 -1.919693289e+00 -1.356469031e+00 -3.967741791e-01 3.02 -1.878789351e+00 -1.319033822e+00 -3.828342170e-01 3.04 -1.838496730e+00 -1.282488975e+00 -3.717459061e-01 3.06 -1.798822205e+00 -1.246824556e+00 -3.620847215e-01 3.08 -1.759771257e+00 -1.212029795e+00 -3.531363923e-01 3.10 -1.721348162e+00 -1.178093182e+00 -3.445812899e-01 3.12 -1.683556071e+00 -1.145002556e+00 -3.362906055e-01 3.14 -1.646397086e+00 -1.112745192e+00 -3.282161007e-01 3.16 -1.609872340e+00 -1.081307872e+00 -3.203392203e-01 3.18 -1.573982062e+00 -1.050676962e+00 -3.126509795e-01 3.20 -1.538725643e+00 -1.020838472e+00 -3.051451737e-01 3.22 -1.504101701e+00 -9.917781211e-01 -2.978164276e-01 3.24 -1.470108140e+00 -9.634813897e-01 -2.906597156e-01 3.26 -1.436742199e+00 -9.359335708e-01 -2.836702536e-01 3.28 -1.404000513e+00 -9.091198171e-01 -2.768434704e-01 3.30 -1.371879156e+00 -8.830251830e-01 -2.701749919e-01 3.32 -1.340373687e+00 -8.576346641e-01 -2.636606283e-01 3.34 -1.309479199e+00 -8.329332324e-01 -2.572963631e-01 3.36 -1.279190354e+00 -8.089058685e-01 -2.510783420e-01 3.38 -1.249501424e+00 -7.855375914e-01 -2.450028629e-01 3.40 -1.220406328e+00 -7.628134846e-01 -2.390663669e-01 3.42 -1.191898664e+00 -7.407187207e-01 -2.332654291e-01 3.44 -1.163971742e+00 -7.192385826e-01 -2.275967511e-01 3.46 -1.136618613e+00 -6.983584835e-01 -2.220571533e-01 3.48 -1.109832099e+00 -6.780639837e-01 -2.166435678e-01 3.50 -1.083604818e+00 -6.583408071e-01 -2.113530320e-01 3.52 -1.057929209e+00 -6.391748539e-01 -2.061826827e-01 3.54 -1.032797553e+00 -6.205522138e-01 -2.011297504e-01 3.56 -1.008201998e+00 -6.024591759e-01 -1.961915538e-01 3.58 -9.841345783e-01 -5.848822387e-01 -1.913654956e-01 3.60 -9.605872300e-01 -5.678081176e-01 -1.866490573e-01 3.62 -9.375518132e-01 -5.512237519e-01 -1.820397953e-01 3.64 -9.150201256e-01 -5.351163108e-01 -1.775353370e-01 3.66 -8.929839187e-01 -5.194731979e-01 -1.731333772e-01 3.68 -8.714349115e-01 -5.042820551e-01 -1.688316744e-01 3.70 -8.503648040e-01 -4.895307658e-01 -1.646280481e-01 3.72 -8.297652894e-01 -4.752074570e-01 -1.605203756e-01 3.74 -8.096280655e-01 -4.613005008e-01 -1.565065892e-01 3.76 -7.899448447e-01 -4.477985155e-01 -1.525846738e-01 3.78 -7.707073647e-01 -4.346903657e-01 -1.487526646e-01 3.80 -7.519073963e-01 -4.219651623e-01 -1.450086446e-01 3.82 -7.335367526e-01 -4.096122615e-01 -1.413507429e-01 3.84 -7.155872960e-01 -3.976212641e-01 -1.377771324e-01 3.86 -6.980509455e-01 -3.859820134e-01 -1.342860285e-01 3.88 -6.809196828e-01 -3.746845939e-01 -1.308756868e-01 3.90 -6.641855583e-01 -3.637193288e-01 -1.275444021e-01 3.92 -6.463363713e-01 -3.521879950e-01 -1.238930953e-01 3.94 -6.084459942e-01 -3.290080072e-01 -1.149907881e-01 3.96 -5.022237860e-01 -2.668814609e-01 -8.940270513e-02 3.98 -2.695172814e-01 -1.376230668e-01 -4.007778624e-02 4.00 -3.358486787e-27 -1.416800280e-27 -3.534623936e-29 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 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