# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Zope-R-R-Mishin-Y--Ti-Al # implementation = EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 # 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 Ti Ti Ti 0.02 3.409259006e+01 2.018522927e+05 4.447638812e+02 0.04 3.319177543e+01 1.913943817e+05 4.291856582e+02 0.06 3.230758946e+01 1.813102040e+05 4.140302423e+02 0.08 3.143986573e+01 1.715928662e+05 3.992909102e+02 0.10 3.058843782e+01 1.622354747e+05 3.849609408e+02 0.12 2.975313933e+01 1.532311364e+05 3.710336162e+02 0.14 2.893380383e+01 1.445729577e+05 3.575022215e+02 0.16 2.813026491e+01 1.362540452e+05 3.443600448e+02 0.18 2.734235616e+01 1.282675055e+05 3.316003776e+02 0.20 2.656991118e+01 1.206064452e+05 3.192165147e+02 0.22 2.581276355e+01 1.132639709e+05 3.072017544e+02 0.24 2.507074686e+01 1.062331891e+05 2.955493987e+02 0.26 2.434369472e+01 9.950720632e+04 2.842527529e+02 0.28 2.363144070e+01 9.307912920e+04 2.733051265e+02 0.30 2.293381842e+01 8.694206425e+04 2.626998324e+02 0.32 2.225066146e+01 8.108911799e+04 2.524301874e+02 0.34 2.158180343e+01 7.551339694e+04 2.424895123e+02 0.36 2.092707793e+01 7.020800760e+04 2.328711317e+02 0.38 2.028631855e+01 6.516605645e+04 2.235683741e+02 0.40 1.965935890e+01 6.038065003e+04 2.145745720e+02 0.42 1.904603259e+01 5.584489490e+04 2.058830615e+02 0.44 1.844617320e+01 5.155189758e+04 1.974871832e+02 0.46 1.785961437e+01 4.749476458e+04 1.893802810e+02 0.48 1.728618968e+01 4.366660234e+04 1.815557030e+02 0.50 1.672573274e+01 4.006051733e+04 1.740068010e+02 0.52 1.617807718e+01 3.666961597e+04 1.667269308e+02 0.54 1.564305659e+01 3.348700467e+04 1.597094516e+02 0.56 1.512050459e+01 3.050578985e+04 1.529477267e+02 0.58 1.461025480e+01 2.771907792e+04 1.464351226e+02 0.60 1.411214082e+01 2.511997531e+04 1.401650097e+02 0.62 1.362599627e+01 2.270158843e+04 1.341307618e+02 0.64 1.315165477e+01 2.045702371e+04 1.283257561e+02 0.66 1.268894994e+01 1.837938759e+04 1.227433730e+02 0.68 1.223771539e+01 1.646178651e+04 1.173769965e+02 0.70 1.179778475e+01 1.469732694e+04 1.122200133e+02 0.72 1.136899164e+01 1.307911534e+04 1.072658135e+02 0.74 1.095116969e+01 1.160025820e+04 1.025077900e+02 0.76 1.054415251e+01 1.025386201e+04 9.793933860e+01 0.78 1.014777373e+01 9.033033285e+03 9.355385791e+01 0.80 9.761866985e+00 7.930878536e+03 8.934474909e+01 0.82 9.386265900e+00 6.940504301e+03 8.530541587e+01 0.84 9.020804106e+00 6.055017126e+03 8.142926441e+01 0.86 8.665315234e+00 5.267523571e+03 7.770970317e+01 0.88 8.319632920e+00 4.571130205e+03 7.414014280e+01 0.90 7.983590798e+00 3.958943608e+03 7.071399605e+01 0.92 7.657022504e+00 3.424070372e+03 6.742467761e+01 0.94 7.339761679e+00 2.959617095e+03 6.426560403e+01 0.96 7.031641961e+00 2.558690385e+03 6.123019359e+01 0.98 6.732496994e+00 2.214396857e+03 5.831186617e+01 1.00 6.442160422e+00 1.919843132e+03 5.550404318e+01 1.02 6.160465889e+00 1.668133623e+03 5.280052733e+01 1.04 5.887247044e+00 1.452622077e+03 5.019760614e+01 1.06 5.622337538e+00 1.267617775e+03 4.769257577e+01 1.08 5.365571020e+00 1.108401262e+03 4.528277666e+01 1.10 5.116781146e+00 9.710458300e+02 4.296559310e+01 1.12 4.875801572e+00 8.522738889e+02 4.073845054e+01 1.14 4.642465955e+00 7.493413962e+02 3.859881797e+01 1.16 4.416607957e+00 6.599439122e+02 3.654420618e+01 1.18 4.198061240e+00 5.821410441e+02 3.457216816e+01 1.20 3.986659470e+00 5.142940269e+02 3.268029850e+01 1.22 3.782236315e+00 4.550154472e+02 3.086623383e+01 1.24 3.584625444e+00 4.031275487e+02 2.912765132e+01 1.26 3.393660532e+00 3.576280832e+02 2.746227217e+01 1.28 3.209175254e+00 3.176621333e+02 2.586785467e+01 1.30 3.031003288e+00 2.824987475e+02 2.434220061e+01 1.32 2.858978318e+00 2.515115536e+02 2.288315233e+01 1.34 2.692934026e+00 2.241626748e+02 2.148859200e+01 1.36 2.532704101e+00 1.999891748e+02 2.015644310e+01 1.38 2.378122234e+00 1.785918898e+02 1.888466848e+01 1.40 2.229022120e+00 1.596259025e+02 1.767127158e+01 1.42 2.085237456e+00 1.427926901e+02 1.651429576e+01 1.44 1.946601943e+00 1.278333152e+02 1.541182369e+01 1.46 1.812949287e+00 1.145228200e+02 1.436197765e+01 1.48 1.684113197e+00 1.026654046e+02 1.336291940e+01 1.50 1.559927384e+00 9.209036271e+01 1.241284941e+01 1.52 1.440225753e+00 8.264862704e+01 1.151000824e+01 1.54 1.324845392e+00 7.420980721e+01 1.065267319e+01 1.56 1.213629861e+00 6.665968764e+01 9.839161086e+00 1.58 1.106429073e+00 5.989805146e+01 9.067827106e+00 1.60 1.003098915e+00 5.383684684e+01 8.337063716e+00 1.62 9.035009027e-01 4.839860301e+01 7.645301599e+00 1.64 8.075018711e-01 4.351505280e+01 6.991008280e+00 1.66 7.149736990e-01 3.912596808e+01 6.372688513e+00 1.68 6.257930569e-01 3.517814798e+01 5.788884393e+00 1.70 5.398411840e-01 3.162452480e+01 5.238173393e+00 1.72 4.570036984e-01 2.842342157e+01 4.719169715e+00 1.74 3.771704156e-01 2.553787179e+01 4.230523266e+00 1.76 3.002352208e-01 2.293506496e+01 3.770919123e+00 1.78 2.260959325e-01 2.058583344e+01 3.339077876e+00 1.80 1.546542015e-01 1.846422691e+01 2.933754060e+00 1.82 8.581542388e-02 1.654713208e+01 2.553736517e+00 1.84 1.948866321e-02 1.481393755e+01 2.197843096e+00 1.86 -4.441340616e-02 1.324624479e+01 1.864915936e+00 1.88 -1.059745532e-01 1.182761576e+01 1.553821164e+00 1.90 -1.652750362e-01 1.054334519e+01 1.263448506e+00 1.92 -2.223916367e-01 9.380270571e+00 9.927133597e-01 1.94 -2.773977032e-01 8.326595555e+00 7.405620626e-01 1.96 -3.303631834e-01 7.371743364e+00 5.059736005e-01 1.98 -3.813546644e-01 6.506218585e+00 2.879592289e-01 2.00 -4.304354154e-01 5.721491964e+00 8.556242328e-02 2.02 -4.776654343e-01 5.009894438e+00 -1.021415505e-01 2.04 -5.231015046e-01 4.364524891e+00 -2.760452556e-01 2.06 -5.667972570e-01 3.779169032e+00 -4.370097855e-01 2.08 -6.088032444e-01 3.248225982e+00 -5.858639844e-01 2.10 -6.491670238e-01 2.766644793e+00 -7.234044898e-01 2.12 -6.879332519e-01 2.329866346e+00 -8.503953899e-01 2.14 -7.251437898e-01 1.933773167e+00 -9.675676003e-01 2.16 -7.608378203e-01 1.574644519e+00 -1.075618333e+00 2.18 -7.950519751e-01 1.249115027e+00 -1.175210145e+00 2.20 -8.278204739e-01 9.541396132e-01 -1.266969978e+00 2.22 -8.591752712e-01 6.869610005e-01 -1.351488070e+00 2.24 -8.891462140e-01 4.450809871e-01 -1.429316524e+00 2.26 -9.177612061e-01 2.262353324e-01 -1.500967776e+00 2.28 -9.450463795e-01 2.836979264e-02 -1.566913015e+00 2.30 -9.710262696e-01 -1.503793000e-01 -1.627580210e+00 2.32 -9.957239961e-01 -3.117044007e-01 -1.683352347e+00 2.34 -1.019161445e+00 -4.571427094e-01 -1.734565170e+00 2.36 -1.041359448e+00 -5.880911373e-01 -1.781505303e+00 2.38 -1.062337970e+00 -7.058197853e-01 -1.824409818e+00 2.40 -1.082116279e+00 -8.114837936e-01 -1.863465848e+00 2.42 -1.100713128e+00 -9.061342237e-01 -1.898810301e+00 2.44 -1.118146918e+00 -9.907276960e-01 -1.930545554e+00 2.46 -1.134435861e+00 -1.066135241e+00 -1.958755359e+00 2.48 -1.149598132e+00 -1.133150303e+00 -1.983505249e+00 2.50 -1.163652012e+00 -1.192495656e+00 -2.004841578e+00 2.52 -1.176616018e+00 -1.244830173e+00 -2.022791307e+00 2.54 -1.188509026e+00 -1.290754548e+00 -2.037362440e+00 2.56 -1.199350372e+00 -1.330816777e+00 -2.048545310e+00 2.58 -1.209159956e+00 -1.365517107e+00 -2.056314817e+00 2.60 -1.217958313e+00 -1.395312553e+00 -2.060633704e+00 2.62 -1.225766684e+00 -1.420621245e+00 -2.061459395e+00 2.64 -1.232607068e+00 -1.441826256e+00 -2.058777154e+00 2.66 -1.238502260e+00 -1.459279474e+00 -2.052630259e+00 2.68 -1.243475876e+00 -1.473304989e+00 -2.043122374e+00 2.70 -1.247552364e+00 -1.484202372e+00 -2.030417019e+00 2.72 -1.250757002e+00 -1.492248976e+00 -2.014735802e+00 2.74 -1.253115876e+00 -1.497702065e+00 -1.996353928e+00 2.76 -1.254655866e+00 -1.500801627e+00 -1.975591851e+00 2.78 -1.255404567e+00 -1.501771915e+00 -1.952801789e+00 2.80 -1.255390259e+00 -1.500822137e+00 -1.928348901e+00 2.82 -1.254641863e+00 -1.498146331e+00 -1.902587794e+00 2.84 -1.253188870e+00 -1.493922363e+00 -1.875836277e+00 2.86 -1.251061267e+00 -1.488309763e+00 -1.848349737e+00 2.88 -1.248289463e+00 -1.481447414e+00 -1.820299938e+00 2.90 -1.244904192e+00 -1.473455783e+00 -1.791781333e+00 2.92 -1.240936429e+00 -1.464443609e+00 -1.762866354e+00 2.94 -1.236417296e+00 -1.454510768e+00 -1.733624477e+00 2.96 -1.231377957e+00 -1.443749032e+00 -1.704122124e+00 2.98 -1.225849530e+00 -1.432242737e+00 -1.674422445e+00 3.00 -1.219862979e+00 -1.420069332e+00 -1.644585103e+00 3.02 -1.213449021e+00 -1.407298437e+00 -1.614666230e+00 3.04 -1.206638024e+00 -1.393992372e+00 -1.584718371e+00 3.06 -1.199459915e+00 -1.380208443e+00 -1.554790471e+00 3.08 -1.191944085e+00 -1.365999478e+00 -1.524927971e+00 3.10 -1.184119299e+00 -1.351414138e+00 -1.495172784e+00 3.12 -1.176013614e+00 -1.336497278e+00 -1.465563485e+00 3.14 -1.167654293e+00 -1.321290240e+00 -1.436135380e+00 3.16 -1.159067736e+00 -1.305831095e+00 -1.406920632e+00 3.18 -1.150279404e+00 -1.290154951e+00 -1.377948407e+00 3.20 -1.141313759e+00 -1.274293873e+00 -1.349245003e+00 3.22 -1.132194204e+00 -1.258276707e+00 -1.320833995e+00 3.24 -1.122943033e+00 -1.242129920e+00 -1.292736430e+00 3.26 -1.113581387e+00 -1.225877910e+00 -1.264970864e+00 3.28 -1.104129213e+00 -1.209543185e+00 -1.237553612e+00 3.30 -1.094605240e+00 -1.193146482e+00 -1.210498850e+00 3.32 -1.085026946e+00 -1.176706895e+00 -1.183818731e+00 3.34 -1.075410550e+00 -1.160242030e+00 -1.157523571e+00 3.36 -1.065770986e+00 -1.143768041e+00 -1.131621894e+00 3.38 -1.056121953e+00 -1.127299818e+00 -1.106120631e+00 3.40 -1.046475799e+00 -1.110851008e+00 -1.081025204e+00 3.42 -1.036843390e+00 -1.094434116e+00 -1.056339627e+00 3.44 -1.027233406e+00 -1.078058396e+00 -1.032066628e+00 3.46 -1.017653176e+00 -1.061729168e+00 -1.008207727e+00 3.48 -1.008108717e+00 -1.045451231e+00 -9.847633414e-01 3.50 -9.986048700e-01 -1.029229173e+00 -9.617328677e-01 3.52 -9.891452977e-01 -1.013067376e+00 -9.391147570e-01 3.54 -9.797325376e-01 -9.969700088e-01 -9.169065826e-01 3.56 -9.703680517e-01 -9.809410114e-01 -8.951051283e-01 3.58 -9.610522793e-01 -9.649841226e-01 -8.737064230e-01 3.60 -9.517846951e-01 -9.491028473e-01 -8.527058355e-01 3.62 -9.425638701e-01 -9.333004751e-01 -8.320980670e-01 3.64 -9.333875352e-01 -9.175800649e-01 -8.118772619e-01 3.66 -9.242526481e-01 -9.019444465e-01 -7.920370128e-01 3.68 -9.151554613e-01 -8.863962236e-01 -7.725704050e-01 3.70 -9.060915933e-01 -8.709377582e-01 -7.534700575e-01 3.72 -8.970560999e-01 -8.555711852e-01 -7.347281431e-01 3.74 -8.880435476e-01 -8.402984034e-01 -7.163364212e-01 3.76 -8.790480861e-01 -8.251213075e-01 -6.982862694e-01 3.78 -8.700635230e-01 -8.100416830e-01 -6.805686676e-01 3.80 -8.610833967e-01 -7.950610276e-01 -6.631742493e-01 3.82 -8.521010484e-01 -7.801805519e-01 -6.460933070e-01 3.84 -8.431096950e-01 -7.654011553e-01 -6.293157858e-01 3.86 -8.341024995e-01 -7.507234478e-01 -6.128313178e-01 3.88 -8.250726396e-01 -7.361477332e-01 -5.966291898e-01 3.90 -8.160133756e-01 -7.216740175e-01 -5.806983815e-01 3.92 -8.069181072e-01 -7.073020112e-01 -5.650275598e-01 3.94 -7.977804568e-01 -6.930311035e-01 -5.496050707e-01 3.96 -7.885943869e-01 -6.788603922e-01 -5.344189497e-01 3.98 -7.793543905e-01 -6.647886568e-01 -5.194569219e-01 4.00 -7.700553502e-01 -6.508143704e-01 -5.047064037e-01 4.02 -7.606925750e-01 -6.369357070e-01 -4.901545369e-01 4.04 -7.512618323e-01 -6.231505204e-01 -4.757881380e-01 4.06 -7.417593923e-01 -6.094563777e-01 -4.615937844e-01 4.08 -7.321820642e-01 -5.958505453e-01 -4.475578058e-01 4.10 -7.225272268e-01 -5.823300193e-01 -4.336663167e-01 4.12 -7.127928563e-01 -5.688915329e-01 -4.199052926e-01 4.14 -7.029775488e-01 -5.555315871e-01 -4.062605924e-01 4.16 -6.930805396e-01 -5.422464880e-01 -3.927180786e-01 4.18 -6.831017165e-01 -5.290323949e-01 -3.792637132e-01 4.20 -6.730416290e-01 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