# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--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 Al Al Al Co Al Ni Co Co Co Ni Ni Ni 0.02 4.975659969e+02 6.298204977e+02 1.017284919e+03 4.395167296e+02 8.737304572e+02 1.192811351e+03 0.04 4.734661694e+02 5.954090451e+02 9.607463894e+02 4.168386496e+02 8.253378018e+02 1.123164102e+03 0.06 4.504710498e+02 5.628029200e+02 9.072159114e+02 3.952506443e+02 7.795044352e+02 1.057435218e+03 0.08 4.285317607e+02 5.319092497e+02 8.565384917e+02 3.747029435e+02 7.360994924e+02 9.954101019e+02 0.10 4.076015263e+02 5.026398843e+02 8.085669021e+02 3.551479530e+02 6.949985970e+02 9.368856441e+02 0.12 3.876355837e+02 4.749111589e+02 7.631612997e+02 3.365401630e+02 6.560835494e+02 8.816696208e+02 0.14 3.685910993e+02 4.486436671e+02 7.201888667e+02 3.188360610e+02 6.192420302e+02 8.295801227e+02 0.16 3.504270874e+02 4.237620458e+02 6.795234666e+02 3.019940469e+02 5.843673170e+02 7.804450126e+02 0.18 3.331043327e+02 4.001947712e+02 6.410453172e+02 2.859743528e+02 5.513580138e+02 7.341014112e+02 0.20 3.165853158e+02 3.778739650e+02 6.046406786e+02 2.707389651e+02 5.201177940e+02 6.903952093e+02 0.22 3.008341417e+02 3.567352098e+02 5.702015569e+02 2.562515505e+02 4.905551545e+02 6.491806055e+02 0.24 2.858164714e+02 3.367173746e+02 5.376254216e+02 2.424773844e+02 4.625831817e+02 6.103196675e+02 0.26 2.714994565e+02 3.177624483e+02 5.068149366e+02 2.293832827e+02 4.361193288e+02 5.736819165e+02 0.28 2.578516757e+02 2.998153817e+02 4.776777039e+02 2.169375362e+02 4.110852024e+02 5.391439328e+02 0.30 2.448430748e+02 2.828239382e+02 4.501260202e+02 2.051098473e+02 3.874063607e+02 5.065889821e+02 0.32 2.324449089e+02 2.667385508e+02 4.240766443e+02 1.938712704e+02 3.650121195e+02 4.759066609e+02 0.34 2.206296864e+02 2.515121873e+02 3.994505768e+02 1.831941532e+02 3.438353692e+02 4.469925607e+02 0.36 2.093711163e+02 2.371002214e+02 3.761728496e+02 1.730520819e+02 3.238123988e+02 4.197479499e+02 0.38 1.986440572e+02 2.234603115e+02 3.541723255e+02 1.634198276e+02 3.048827291e+02 3.940794710e+02 0.40 1.884244678e+02 2.105522842e+02 3.333815084e+02 1.542732953e+02 2.869889538e+02 3.698988555e+02 0.42 1.786893609e+02 1.983380245e+02 3.137363614e+02 1.455894752e+02 2.700765882e+02 3.471226517e+02 0.44 1.694167576e+02 1.867813716e+02 2.951761349e+02 1.373463958e+02 2.540939243e+02 3.256719686e+02 0.46 1.605856451e+02 1.758480195e+02 2.776432023e+02 1.295230788e+02 2.389918942e+02 3.054722316e+02 0.48 1.521759346e+02 1.655054226e+02 2.610829039e+02 1.220994962e+02 2.247239388e+02 2.864529518e+02 0.50 1.441684226e+02 1.557227069e+02 2.454433986e+02 1.150565289e+02 2.112458838e+02 2.685475076e+02 0.52 1.365447521e+02 1.464705843e+02 2.306755224e+02 1.083759272e+02 1.985158205e+02 2.516929370e+02 0.54 1.292873771e+02 1.377212726e+02 2.167326540e+02 1.020402730e+02 1.864939937e+02 2.358297413e+02 0.56 1.223795272e+02 1.294484185e+02 2.035705874e+02 9.603294339e+01 1.751426937e+02 2.209016993e+02 0.58 1.158051746e+02 1.216270251e+02 1.911474099e+02 9.033807585e+01 1.644261545e+02 2.068556905e+02 0.60 1.095490020e+02 1.142333827e+02 1.794233865e+02 8.494053490e+01 1.543104566e+02 1.936415286e+02 0.62 1.035963721e+02 1.072450034e+02 1.683608505e+02 7.982588023e+01 1.447634341e+02 1.812118031e+02 0.64 9.793329796e+01 1.006405590e+02 1.579240984e+02 7.498033609e+01 1.357545872e+02 1.695217293e+02 0.66 9.254641540e+01 9.439982133e+01 1.480792906e+02 7.039076197e+01 1.272549979e+02 1.585290067e+02 0.68 8.742295569e+01 8.850360686e+01 1.387943571e+02 6.604462457e+01 1.192372506e+02 1.481936841e+02 0.70 8.255071991e+01 8.293372294e+01 1.300389078e+02 6.192997090e+01 1.116753565e+02 1.384780329e+02 0.72 7.791805425e+01 7.767291738e+01 1.217841466e+02 5.803540260e+01 1.045446814e+02 1.293464261e+02 0.74 7.351382635e+01 7.270483047e+01 1.140027905e+02 5.435005123e+01 9.782187679e+01 1.207652241e+02 0.76 6.932740264e+01 6.801394932e+01 1.066689926e+02 5.086355476e+01 9.148481535e+01 1.127026669e+02 0.78 6.534862665e+01 6.358556466e+01 9.975826861e+01 4.756603491e+01 8.551252850e+01 1.051287716e+02 0.80 6.156779821e+01 5.940572969e+01 9.324742700e+01 4.444807560e+01 7.988514767e+01 9.801523555e+01 0.82 5.797565358e+01 5.546122112e+01 8.711450306e+01 4.150070220e+01 7.458384826e+01 9.133534436e+01 0.84 5.456334641e+01 5.173950213e+01 8.133869582e+01 3.871536177e+01 6.959079639e+01 8.506388542e+01 0.86 5.132242944e+01 4.822868723e+01 7.590030830e+01 3.608390407e+01 6.488909832e+01 7.917706550e+01 0.88 4.824483708e+01 4.491750888e+01 7.078069066e+01 3.359856346e+01 6.046275232e+01 7.365243296e+01 0.90 4.532286866e+01 4.179528583e+01 6.596218632e+01 3.125194148e+01 5.629660301e+01 6.846880414e+01 0.92 4.254917243e+01 3.885189307e+01 6.142808060e+01 2.903699033e+01 5.237629789e+01 6.360619366e+01 0.94 3.991673023e+01 3.607773326e+01 5.716255211e+01 2.694699690e+01 4.868824608e+01 5.904574843e+01 0.96 3.741884280e+01 3.346370968e+01 5.315062647e+01 2.497556762e+01 4.521957912e+01 5.476968530e+01 0.98 3.504911575e+01 3.100120050e+01 4.937813237e+01 2.311661391e+01 4.195811371e+01 5.076123196e+01 1.00 3.280144610e+01 2.868203437e+01 4.583165991e+01 2.136433827e+01 3.889231633e+01 4.700457111e+01 1.02 3.067000940e+01 2.649846727e+01 4.249852094e+01 1.971322099e+01 3.601126963e+01 4.348478755e+01 1.04 2.864924742e+01 2.444316052e+01 3.936671149e+01 1.815800742e+01 3.330464049e+01 4.018781824e+01 1.06 2.673385638e+01 2.250915993e+01 3.642487609e+01 1.669369585e+01 3.076264976e+01 3.710040495e+01 1.08 2.491877560e+01 2.068987596e+01 3.366227379e+01 1.531552583e+01 2.837604338e+01 3.421004953e+01 1.10 2.319917678e+01 1.897906497e+01 3.106874609e+01 1.401896710e+01 2.613606513e+01 3.150497161e+01 1.12 2.157045361e+01 1.737081137e+01 2.863468631e+01 1.279970896e+01 2.403443063e+01 2.897406860e+01 1.14 2.002821191e+01 1.585951066e+01 2.635101066e+01 1.165365011e+01 2.206330271e+01 2.660687777e+01 1.16 1.856826020e+01 1.443985341e+01 2.420913068e+01 1.057688897e+01 2.021526801e+01 2.439354057e+01 1.18 1.718660058e+01 1.310680998e+01 2.220092719e+01 9.565714400e+00 1.848331479e+01 2.232476870e+01 1.20 1.587942018e+01 1.185561610e+01 2.031872543e+01 8.616596847e+00 1.686081186e+01 2.039181218e+01 1.22 1.464308283e+01 1.068175908e+01 1.855527164e+01 7.726179898e+00 1.534148857e+01 1.858642909e+01 1.24 1.347412117e+01 9.580964834e+00 1.690371067e+01 6.891272205e+00 1.391941582e+01 1.690085697e+01 1.26 1.236922912e+01 8.549185487e+00 1.535756488e+01 6.108839775e+00 1.258898807e+01 1.532778583e+01 1.28 1.132525461e+01 7.582587668e+00 1.391071407e+01 5.375998618e+00 1.134490625e+01 1.386033258e+01 1.30 1.033919273e+01 6.677541367e+00 1.255737643e+01 4.690007722e+00 1.018216156e+01 1.249201690e+01 1.32 9.408179100e+00 5.830609379e+00 1.129209049e+01 4.048262358e+00 9.096020065e+00 1.121673844e+01 1.34 8.529483585e+00 5.038537286e+00 1.010969807e+01 3.448287696e+00 8.082008130e+00 1.002875525e+01 1.36 7.700504237e+00 4.298243951e+00 9.005328058e+00 2.887732711e+00 7.135898584e+00 8.922663442e+00 1.38 6.918761553e+00 3.606812497e+00 7.974381043e+00 2.364364385e+00 6.253697601e+00 7.893377924e+00 1.40 6.181892947e+00 2.961481757e+00 7.012514780e+00 1.876062180e+00 5.431632258e+00 6.936114238e+00 1.42 5.487647480e+00 2.359638148e+00 6.115630399e+00 1.420812777e+00 4.666138746e+00 6.046371389e+00 1.44 4.833880805e+00 1.798807980e+00 5.279859329e+00 9.967050709e-01 3.953851184e+00 5.219915627e+00 1.46 4.218550340e+00 1.276650145e+00 4.501550906e+00 6.019254126e-01 3.291591023e+00 4.452765132e+00 1.48 3.639710637e+00 7.909491922e-01 3.777260607e+00 2.347530866e-01 2.676357000e+00 3.741175554e+00 1.50 3.095508956e+00 3.396087522e-01 3.103738892e+00 -1.064439791e-01 2.105315617e+00 3.081626353e+00 1.52 2.584181020e+00 -7.935469391e-02 2.477920607e+00 -4.232132835e-01 1.575792122e+00 2.470807902e+00 1.54 2.104046959e+00 -4.678177285e-01 1.896914930e+00 -7.170216073e-01 1.085261961e+00 1.905609318e+00 1.56 1.653507419e+00 -8.275556050e-01 1.357995817e+00 -9.892586613e-01 6.313426837e-01 1.383106963e+00 1.58 1.231039842e+00 -1.160247565e+00 8.585929407e-01 -1.241240534e+00 2.117862711e-01 9.005536017e-01 1.60 8.351949006e-01 -1.467481884e+00 3.962830948e-01 -1.474212945e+00 -1.755281226e-01 4.553681575e-01 1.62 4.645930979e-01 -1.750760648e+00 -3.121796178e-02 -1.689354312e+00 -5.326010486e-01 4.512605252e-02 1.64 1.179215029e-01 -2.011504294e+00 -4.260632253e-01 -1.887778636e+00 -8.613192730e-01 -3.324499100e-01 1.66 -2.060693613e-01 -2.251055905e+00 -7.902817583e-01 -2.070538216e+00 -1.163461939e+00 -6.794981472e-01 1.68 -5.085684934e-01 -2.470685287e+00 -1.125785603e+00 -2.238626191e+00 -1.440706398e+00 -9.980264090e-01 1.70 -7.907072559e-01 -2.671592833e+00 -1.434376312e+00 -2.392978935e+00 -1.694633731e+00 -1.289919428e+00 1.72 -1.053562087e+00 -2.854913184e+00 -1.717751119e+00 -2.534478288e+00 -1.926733964e+00 -1.556946131e+00 1.74 -1.298157086e+00 -3.021718701e+00 -1.977508757e+00 -2.663953658e+00 -2.138411011e+00 -1.800766438e+00 1.76 -1.525466484e+00 -3.173022754e+00 -2.215154944e+00 -2.782183993e+00 -2.330987344e+00 -2.022937668e+00 1.78 -1.736416992e+00 -3.309782840e+00 -2.432107569e+00 -2.889899628e+00 -2.505708407e+00 -2.224920576e+00 1.80 -1.931890042e+00 -3.432903533e+00 -2.629701563e+00 -2.987784041e+00 -2.663746798e+00 -2.408085048e+00 1.82 -2.112723920e+00 -3.543239287e+00 -2.809193510e+00 -3.076475511e+00 -2.806206210e+00 -2.573715459e+00 1.84 -2.279715801e+00 -3.641597085e+00 -2.971765991e+00 -3.156568708e+00 -2.934125170e+00 -2.723015745e+00 1.86 -2.433623681e+00 -3.728738947e+00 -3.118531683e+00 -3.228616236e+00 -3.048480565e+00 -2.857114178e+00 1.88 -2.575168220e+00 -3.805384311e+00 -3.250537240e+00 -3.293130133e+00 -3.150190981e+00 -2.977067878e+00 1.90 -2.705034493e+00 -3.872212283e+00 -3.368766952e+00 -3.350583365e+00 -3.240119858e+00 -3.083867091e+00 1.92 -2.823873667e+00 -3.929863770e+00 -3.474146213e+00 -3.401411322e+00 -3.319078473e+00 -3.178439220e+00 1.94 -2.932304585e+00 -3.978943501e+00 -3.567544804e+00 -3.446013353e+00 -3.387828766e+00 -3.261652650e+00 1.96 -3.030915285e+00 -4.020021934e+00 -3.649780002e+00 -3.484754337e+00 -3.447086016e+00 -3.334320363e+00 1.98 -3.120264438e+00 -4.053637072e+00 -3.721619525e+00 -3.517966337e+00 -3.497521368e+00 -3.397203359e+00 2.00 -3.200882732e+00 -4.080296174e+00 -3.783784324e+00 -3.545950338e+00 -3.539764241e+00 -3.451013876e+00 2.02 -3.273274177e+00 -4.100477381e+00 -3.836951238e+00 -3.568978104e+00 -3.574404600e+00 -3.496418444e+00 2.04 -3.337917358e+00 -4.114631252e+00 -3.881755503e+00 -3.587294168e+00 -3.601995120e+00 -3.534040739e+00 2.06 -3.395266630e+00 -4.123182224e+00 -3.918793136e+00 -3.601117980e+00 -3.623053247e+00 -3.564464279e+00 2.08 -3.445753254e+00 -4.126529993e+00 -3.948623199e+00 -3.610646239e+00 -3.638063148e+00 -3.588234936e+00 2.10 -3.489786485e+00 -4.125050824e+00 -3.971769935e+00 -3.616055434e+00 -3.647477588e+00 -3.605863293e+00 2.12 -3.527754614e+00 -4.119098796e+00 -3.988724807e+00 -3.617504614e+00 -3.651719707e+00 -3.617826840e+00 2.14 -3.560025953e+00 -4.109006983e+00 -3.999948415e+00 -3.615138385e+00 -3.651184733e+00 -3.624572014e+00 2.16 -3.586949788e+00 -4.095088575e+00 -4.005872321e+00 -3.609090148e+00 -3.646241631e+00 -3.626516112e+00 2.18 -3.608857279e+00 -4.077637951e+00 -4.006900771e+00 -3.599485525e+00 -3.637234679e+00 -3.624049053e+00 2.20 -3.626062331e+00 -4.056931689e+00 -4.003412323e+00 -3.586445910e+00 -3.624485009e+00 -3.617535035e+00 2.22 -3.638862414e+00 -4.033229542e+00 -3.995761387e+00 -3.570092037e+00 -3.608292090e+00 -3.607314071e+00 2.24 -3.647539357e+00 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