# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Kumar-A-Chernatynskiy-A-Liang-T-et-al--Al-Ni # implementation = 2015--Kumar-A--Al-Ni--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 Ni Ni Ni 0.02 2.202630374e+02 1.506734471e+02 4.022200208e+02 0.04 2.105584663e+02 1.439420526e+02 3.814770472e+02 0.06 2.012573872e+02 1.374901017e+02 3.617516066e+02 0.08 1.923436113e+02 1.313065027e+02 3.429953864e+02 0.10 1.838015840e+02 1.253805909e+02 3.251623161e+02 0.12 1.756163607e+02 1.197021127e+02 3.082084652e+02 0.14 1.677735829e+02 1.142612101e+02 2.920919451e+02 0.16 1.602594559e+02 1.090484059e+02 2.767728162e+02 0.18 1.530607269e+02 1.040545889e+02 2.622129987e+02 0.20 1.461646643e+02 9.927100054e+01 2.483761872e+02 0.22 1.395590373e+02 9.468922124e+01 2.352277699e+02 0.24 1.332320965e+02 9.030115779e+01 2.227347506e+02 0.26 1.271725557e+02 8.609903086e+01 2.108656750e+02 0.28 1.213695735e+02 8.207536317e+01 1.995905597e+02 0.30 1.158127365e+02 7.822296801e+01 1.888808249e+02 0.32 1.104920423e+02 7.453493824e+01 1.787092297e+02 0.34 1.053978839e+02 7.100463564e+01 1.690498107e+02 0.36 1.005210343e+02 6.762568074e+01 1.598778233e+02 0.38 9.585263169e+01 6.439194296e+01 1.511696854e+02 0.40 9.138416528e+01 6.129753111e+01 1.429029241e+02 0.42 8.710746172e+01 5.833678435e+01 1.350561245e+02 0.44 8.301467199e+01 5.550426333e+01 1.276088806e+02 0.46 7.909825875e+01 5.279474181e+01 1.205417492e+02 0.48 7.535098422e+01 5.020319849e+01 1.138362052e+02 0.50 7.176589855e+01 4.772480920e+01 1.074745990e+02 0.52 6.833632858e+01 4.535493938e+01 1.014401165e+02 0.54 6.505586706e+01 4.308913677e+01 9.571673978e+01 0.56 6.191836231e+01 4.092312451e+01 9.028921061e+01 0.58 5.891790819e+01 3.885279439e+01 8.514299515e+01 0.60 5.604883457e+01 3.687420034e+01 8.026425031e+01 0.62 5.330569808e+01 3.498355229e+01 7.563979167e+01 0.64 5.068327325e+01 3.317721013e+01 7.125706287e+01 0.66 4.817654400e+01 3.145167794e+01 6.710410641e+01 0.68 4.578069540e+01 2.980359848e+01 6.316953570e+01 0.70 4.349110586e+01 2.822974782e+01 5.944250856e+01 0.72 4.130333949e+01 2.672703023e+01 5.591270174e+01 0.74 3.921313885e+01 2.529247321e+01 5.257028674e+01 0.76 3.721641793e+01 2.392322275e+01 4.940590670e+01 0.78 3.530925544e+01 2.261653875e+01 4.641065433e+01 0.80 3.348788830e+01 2.136979064e+01 4.357605085e+01 0.82 3.174870545e+01 2.018045308e+01 4.089402597e+01 0.84 3.008824183e+01 1.904610195e+01 3.835689867e+01 0.86 2.850317269e+01 1.796441039e+01 3.595735900e+01 0.88 2.699030798e+01 1.693314503e+01 3.368845056e+01 0.90 2.554658710e+01 1.595016239e+01 3.154355397e+01 0.92 2.416907377e+01 1.501340531e+01 2.951637094e+01 0.94 2.285495110e+01 1.412089969e+01 2.760090916e+01 0.96 2.160151689e+01 1.327075118e+01 2.579146787e+01 0.98 2.040617909e+01 1.246114209e+01 2.408262410e+01 1.00 1.926645144e+01 1.169032841e+01 2.246921952e+01 1.02 1.817994924e+01 1.095663694e+01 2.094634794e+01 1.04 1.714438539e+01 1.025846248e+01 1.950934337e+01 1.06 1.615756646e+01 9.594265205e+00 1.815376860e+01 1.08 1.521738899e+01 8.962568091e+00 1.687540439e+01 1.10 1.432183590e+01 8.361954450e+00 1.567023905e+01 1.12 1.346897307e+01 7.791065560e+00 1.453445862e+01 1.14 1.265694602e+01 7.248598387e+00 1.346443742e+01 1.16 1.188397675e+01 6.733303395e+00 1.245672911e+01 1.18 1.114836066e+01 6.243982435e+00 1.150805806e+01 1.20 1.044846365e+01 5.779486718e+00 1.061531125e+01 1.22 9.782719280e+00 5.338714867e+00 9.775530480e+00 1.24 9.149626084e+00 4.920611041e+00 8.985904920e+00 1.26 8.547744941e+00 4.524163135e+00 8.243764070e+00 1.28 7.975696591e+00 4.148401043e+00 7.546571003e+00 1.30 7.432159230e+00 3.792394991e+00 6.891915946e+00 1.32 6.915866204e+00 3.455253939e+00 6.277510155e+00 1.34 6.425603785e+00 3.136124037e+00 5.701180073e+00 1.36 5.960209050e+00 2.834187143e+00 5.160861774e+00 1.38 5.518567824e+00 2.548659400e+00 4.654595652e+00 1.40 5.099612721e+00 2.278789870e+00 4.180521379e+00 1.42 4.702321251e+00 2.023859210e+00 3.736873078e+00 1.44 4.325714007e+00 1.783178414e+00 3.321974746e+00 1.46 3.968852920e+00 1.556087596e+00 2.934235876e+00 1.48 3.630839586e+00 1.341954815e+00 2.572147291e+00 1.50 3.310813656e+00 1.140174961e+00 2.234277180e+00 1.52 3.007951294e+00 9.501686641e-01 1.919267313e+00 1.54 2.721463688e+00 7.713812662e-01 1.625829444e+00 1.56 2.450595628e+00 6.032818176e-01 1.352741874e+00 1.58 2.194624136e+00 4.453621201e-01 1.098846186e+00 1.60 1.952857152e+00 2.971358060e-01 8.630441358e-01 1.62 1.724632270e+00 1.581374519e-01 6.442946801e-01 1.64 1.509315526e+00 2.792172860e-02 4.416111580e-01 1.66 1.306300233e+00 -9.393741649e-02 2.540586004e-01 1.68 1.115005863e+00 -2.078475449e-01 8.075116969e-02 1.70 9.348769755e-01 -3.141984816e-01 -7.915027852e-02 1.72 7.653821812e-01 -4.133630402e-01 -2.264405169e-01 1.74 6.060131566e-01 -5.056977193e-01 -3.618721567e-01 1.76 4.562836913e-01 -5.915433716e-01 -4.861577520e-01 1.78 3.157287760e-01 -6.712258468e-01 -5.999718030e-01 1.80 1.839037260e-01 -7.450566091e-01 -7.039526624e-01 1.82 6.038334028e-02 -8.133333301e-01 -7.987043512e-01 1.84 -5.523890640e-02 -8.763404585e-01 -8.847982856e-01 1.86 -1.633516384e-01 -9.343497672e-01 -9.627749211e-01 1.88 -2.643263233e-01 -9.876208787e-01 -1.033145317e+00 1.90 -3.585179867e-01 -1.036401770e+00 -1.096392626e+00 1.92 -4.462658972e-01 -1.080929257e+00 -1.152973510e+00 1.94 -5.278942247e-01 -1.121429458e+00 -1.203319488e+00 1.96 -6.037126720e-01 -1.158118246e+00 -1.247838217e+00 1.98 -6.740170810e-01 -1.191201669e+00 -1.286914716e+00 2.00 -7.390900142e-01 -1.220876371e+00 -1.320912522e+00 2.02 -7.992013131e-01 -1.247329980e+00 -1.350174794e+00 2.04 -8.546086335e-01 -1.270741494e+00 -1.375025366e+00 2.06 -9.055579600e-01 -1.291281638e+00 -1.395769741e+00 2.08 -9.522840989e-01 -1.309113222e+00 -1.412696042e+00 2.10 -9.950111513e-01 -1.324391469e+00 -1.426075916e+00 2.12 -1.033952967e+00 -1.337264343e+00 -1.436165389e+00 2.14 -1.069313581e+00 -1.347872856e+00 -1.443205683e+00 2.16 -1.101287630e+00 -1.356351363e+00 -1.447423992e+00 2.18 -1.130060754e+00 -1.362827850e+00 -1.449034218e+00 2.20 -1.155809979e+00 -1.367424207e+00 -1.448237671e+00 2.22 -1.178704090e+00 -1.370256485e+00 -1.445223737e+00 2.24 -1.198903979e+00 -1.371435156e+00 -1.440170506e+00 2.26 -1.216562991e+00 -1.371065347e+00 -1.433245378e+00 2.28 -1.231827241e+00 -1.369247074e+00 -1.424605630e+00 2.30 -1.244835934e+00 -1.366075467e+00 -1.414398960e+00 2.32 -1.255721659e+00 -1.361640978e+00 -1.402764000e+00 2.34 -1.264610677e+00 -1.356029588e+00 -1.389830808e+00 2.36 -1.271623199e+00 -1.349323003e+00 -1.375721331e+00 2.38 -1.276873643e+00 -1.341598841e+00 -1.360549846e+00 2.40 -1.280470896e+00 -1.332930812e+00 -1.344423378e+00 2.42 -1.282518548e+00 -1.323388893e+00 -1.327442099e+00 2.44 -1.283115128e+00 -1.313039489e+00 -1.309699703e+00 2.46 -1.282354327e+00 -1.301945598e+00 -1.291283765e+00 2.48 -1.280325210e+00 -1.290166956e+00 -1.272276082e+00 2.50 -1.277112422e+00 -1.277760190e+00 -1.252752993e+00 2.52 -1.272796383e+00 -1.264778951e+00 -1.232785688e+00 2.54 -1.267453475e+00 -1.251274055e+00 -1.212440492e+00 2.56 -1.261156225e+00 -1.237293605e+00 -1.191779147e+00 2.58 -1.253973473e+00 -1.222883118e+00 -1.170859068e+00 2.60 -1.245970543e+00 -1.208085641e+00 -1.149733592e+00 2.62 -1.237209394e+00 -1.192941866e+00 -1.128452212e+00 2.64 -1.227748779e+00 -1.177490234e+00 -1.107060798e+00 2.66 -1.217644384e+00 -1.161767044e+00 -1.085601812e+00 2.68 -1.206948972e+00 -1.145806548e+00 -1.064114500e+00 2.70 -1.195712513e+00 -1.129641049e+00 -1.042635088e+00 2.72 -1.183982312e+00 -1.113300990e+00 -1.021196957e+00 2.74 -1.171803133e+00 -1.096815041e+00 -9.998308134e-01 2.76 -1.159217314e+00 -1.080210183e+00 -9.785648492e-01 2.78 -1.146264880e+00 -1.063511791e+00 -9.574248948e-01 2.80 -1.132983650e+00 -1.046743703e+00 -9.364345617e-01 2.82 -1.119409337e+00 -1.029928302e+00 -9.156153794e-01 2.84 -1.105575652e+00 -1.013086578e+00 -8.949869233e-01 2.86 -1.091514394e+00 -9.962382000e-01 -8.745669369e-01 2.88 -1.077255537e+00 -9.794015795e-01 -8.543714469e-01 2.90 -1.062827325e+00 -9.625939301e-01 -8.344148719e-01 2.92 -1.048256344e+00 -9.458313271e-01 -8.147101253e-01 2.94 -1.033567609e+00 -9.291287635e-01 -7.952687126e-01 2.96 -1.018784633e+00 -9.125002038e-01 -7.761008230e-01 2.98 -1.003929506e+00 -8.959586350e-01 -7.572154165e-01 3.00 -9.890229560e-01 -8.795161158e-01 -7.386203055e-01 3.02 -9.740844212e-01 -8.631838232e-01 -7.203222323e-01 3.04 -9.591321100e-01 -8.469720976e-01 -7.023269420e-01 3.06 -9.441830620e-01 -8.286146331e-01 -6.827639887e-01 3.08 -9.292532055e-01 -7.950045887e-01 -6.509340234e-01 3.10 -9.143574126e-01 -7.456190242e-01 -6.066464273e-01 3.12 -8.995095518e-01 -6.828863389e-01 -5.521039592e-01 3.14 -8.847225381e-01 -6.097337925e-01 -4.898570484e-01 3.16 -8.700083815e-01 -5.294377706e-01 -4.226725076e-01 3.18 -8.553782323e-01 -4.454643580e-01 -3.533993779e-01 3.20 -8.408424253e-01 -3.613078126e-01 -2.848381122e-01 3.22 -8.264105215e-01 -2.803343119e-01 -2.196188166e-01 3.24 -8.120913483e-01 -2.056377947e-01 -1.600935431e-01 3.26 -7.978930374e-01 -1.399138856e-01 -1.082467231e-01 3.28 -7.838230613e-01 -8.535681608e-02 -6.562678237e-02 3.30 -7.698882684e-01 -4.358300664e-02 -3.330085546e-02 3.32 -7.560949155e-01 -1.558361358e-02 -1.183336985e-02 3.34 -7.424487005e-01 -1.706936276e-03 -1.288151207e-03 3.36 -7.289547914e-01 0.000000000e+00 0.000000000e+00 3.38 -7.156178563e-01 0.000000000e+00 0.000000000e+00 3.40 -7.024420900e-01 0.000000000e+00 0.000000000e+00 3.42 -6.818983774e-01 0.000000000e+00 0.000000000e+00 3.44 -6.473415546e-01 0.000000000e+00 0.000000000e+00 3.46 -6.005187500e-01 0.000000000e+00 0.000000000e+00 3.48 -5.436521067e-01 0.000000000e+00 0.000000000e+00 3.50 -4.793232824e-01 0.000000000e+00 0.000000000e+00 3.52 -4.103465363e-01 0.000000000e+00 0.000000000e+00 3.54 -3.396364680e-01 0.000000000e+00 0.000000000e+00 3.56 -2.700764686e-01 0.000000000e+00 0.000000000e+00 3.58 -2.043936636e-01 0.000000000e+00 0.000000000e+00 3.60 -1.450456079e-01 0.000000000e+00 0.000000000e+00 3.62 -9.412325556e-02 0.000000000e+00 0.000000000e+00 3.64 -5.327382614e-02 0.000000000e+00 0.000000000e+00 3.66 -2.364616030e-02 0.000000000e+00 0.000000000e+00 3.68 -5.860061327e-03 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 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