# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1997--Liu-X-Y-Ohotnicky-P-P-Adams-J-B-et-al--Al-Mg # implementation = 1997--Liu-X-Y--Al-Mg--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 Mg Mg Mg 0.02 -4.199117277e+00 8.317383283e+00 1.011185304e+01 0.04 -2.912040585e+00 8.394280702e+00 1.002420143e+01 0.06 -1.691481135e+00 8.462945222e+00 9.936772746e+00 0.08 -5.359116370e-01 8.523567377e+00 9.849558185e+00 0.10 5.561951984e-01 8.576337256e+00 9.762548984e+00 0.12 1.586366660e+00 8.621444602e+00 9.675736417e+00 0.14 2.556130037e+00 8.659079163e+00 9.589111645e+00 0.16 3.467012618e+00 8.689430687e+00 9.502665881e+00 0.18 4.320541692e+00 8.712688921e+00 9.416390419e+00 0.20 5.118244549e+00 8.729043613e+00 9.330276380e+00 0.22 5.861648477e+00 8.738684509e+00 9.244315029e+00 0.24 6.552280766e+00 8.741801358e+00 9.158497592e+00 0.26 7.191668704e+00 8.738583905e+00 9.072815247e+00 0.28 7.781339581e+00 8.729221899e+00 8.987259238e+00 0.30 8.322820686e+00 8.713905086e+00 8.901820792e+00 0.32 8.817639307e+00 8.692823214e+00 8.816491083e+00 0.34 9.267322734e+00 8.666166030e+00 8.731261374e+00 0.36 9.673398256e+00 8.634123284e+00 8.646122863e+00 0.38 1.003739316e+01 8.596884721e+00 8.561066750e+00 0.40 1.036083474e+01 8.554640088e+00 8.476084281e+00 0.42 1.064525028e+01 8.507579133e+00 8.391166656e+00 0.44 1.089216707e+01 8.455891601e+00 8.306305086e+00 0.46 1.110311240e+01 8.399767240e+00 8.221490805e+00 0.48 1.127961357e+01 8.339395799e+00 8.136715018e+00 0.50 1.142319785e+01 8.274967023e+00 8.051968939e+00 0.52 1.153539253e+01 8.206670660e+00 7.967243797e+00 0.54 1.161772491e+01 8.134696457e+00 7.882530797e+00 0.56 1.167172228e+01 8.059234162e+00 7.797821161e+00 0.58 1.169891193e+01 7.980473521e+00 7.713106102e+00 0.60 1.170082113e+01 7.898604283e+00 7.628376842e+00 0.62 1.167897719e+01 7.813816193e+00 7.543624596e+00 0.64 1.163490739e+01 7.726299001e+00 7.458840571e+00 0.66 1.157013902e+01 7.636242451e+00 7.374016003e+00 0.68 1.148619937e+01 7.543836293e+00 7.289142090e+00 0.70 1.138461573e+01 7.449270273e+00 7.204210052e+00 0.72 1.126691539e+01 7.352734138e+00 7.119211122e+00 0.74 1.113462563e+01 7.254417635e+00 7.034136495e+00 0.76 1.098927375e+01 7.154510507e+00 6.948977393e+00 0.78 1.083238704e+01 7.053202520e+00 6.863725078e+00 0.80 1.066549278e+01 6.950681681e+00 6.778370624e+00 0.82 1.049011826e+01 6.847133445e+00 6.692907742e+00 0.84 1.030779077e+01 6.742742898e+00 6.607335154e+00 0.86 1.012003761e+01 6.637695157e+00 6.521652482e+00 0.88 9.928386056e+00 6.532175339e+00 6.435859398e+00 0.90 9.734363402e+00 6.426368558e+00 6.349955524e+00 0.92 9.539496935e+00 6.320459931e+00 6.263940462e+00 0.94 9.345226453e+00 6.214623686e+00 6.177813874e+00 0.96 9.151823142e+00 6.108888519e+00 6.091575386e+00 0.98 8.959195947e+00 6.003237870e+00 6.005224584e+00 1.00 8.767339405e+00 5.897665935e+00 5.918761158e+00 1.02 8.576247616e+00 5.792166832e+00 5.832184698e+00 1.04 8.385914658e+00 5.686734636e+00 5.745494833e+00 1.06 8.196334609e+00 5.581363425e+00 5.658691222e+00 1.08 8.007501547e+00 5.476047286e+00 5.571773466e+00 1.10 7.819409550e+00 5.370780331e+00 5.484741189e+00 1.12 7.632052698e+00 5.265556676e+00 5.397594062e+00 1.14 7.445425068e+00 5.160370432e+00 5.310331658e+00 1.16 7.259520739e+00 5.055215653e+00 5.222953635e+00 1.18 7.074333788e+00 4.950086423e+00 5.135459642e+00 1.20 6.889858295e+00 4.844976839e+00 5.047849262e+00 1.22 6.706088337e+00 4.739881049e+00 4.960122154e+00 1.24 6.523017993e+00 4.634793151e+00 4.872277957e+00 1.26 6.340641340e+00 4.529707190e+00 4.784316259e+00 1.28 6.158952459e+00 4.424617261e+00 4.696236726e+00 1.30 5.977945425e+00 4.319517471e+00 4.608038992e+00 1.32 5.797614319e+00 4.214401946e+00 4.519722631e+00 1.34 5.617953218e+00 4.109264775e+00 4.431287337e+00 1.36 5.438956200e+00 4.004100044e+00 4.342732710e+00 1.38 5.260617344e+00 3.898901829e+00 4.254058363e+00 1.40 5.082930729e+00 3.793664230e+00 4.165263963e+00 1.42 4.905890431e+00 3.688381357e+00 4.076349117e+00 1.44 4.729490531e+00 3.583047336e+00 3.987313434e+00 1.46 4.553725105e+00 3.477656295e+00 3.898156595e+00 1.48 4.378588233e+00 3.372202054e+00 3.808878177e+00 1.50 4.204073992e+00 3.266683221e+00 3.719477828e+00 1.52 4.030176461e+00 3.161116593e+00 3.629955201e+00 1.54 3.856889718e+00 3.055524772e+00 3.540309896e+00 1.56 3.684207842e+00 2.949930225e+00 3.450541471e+00 1.58 3.512124910e+00 2.844355439e+00 3.360650550e+00 1.60 3.340635002e+00 2.738822916e+00 3.270645104e+00 1.62 3.169732195e+00 2.633355177e+00 3.180537986e+00 1.64 2.999410567e+00 2.527974736e+00 3.090342012e+00 1.66 2.829664191e+00 2.422704091e+00 3.000069963e+00 1.68 2.660487197e+00 2.317565726e+00 2.909734681e+00 1.70 2.491873672e+00 2.212582134e+00 2.819348971e+00 1.72 2.323817632e+00 2.107775821e+00 2.728925638e+00 1.74 2.156313157e+00 2.003169314e+00 2.638477505e+00 1.76 1.989354332e+00 1.898785124e+00 2.548017380e+00 1.78 1.822935232e+00 1.794645713e+00 2.457558078e+00 1.80 1.657049936e+00 1.690773579e+00 2.367112407e+00 1.82 1.491692523e+00 1.587191229e+00 2.276693187e+00 1.84 1.326857071e+00 1.483921198e+00 2.186313232e+00 1.86 1.162537658e+00 1.380985977e+00 2.095985342e+00 1.88 9.987283620e-01 1.278408044e+00 2.005722343e+00 1.90 8.354232618e-01 1.176209906e+00 1.915537052e+00 1.92 6.726164356e-01 1.074414053e+00 1.825442251e+00 1.94 5.103019616e-01 9.730429470e-01 1.735450802e+00 1.96 3.484739181e-01 8.721188767e-01 1.645575487e+00 1.98 1.871263835e-01 7.716641136e-01 1.555829102e+00 2.00 2.627103463e-02 6.717013461e-01 1.466224512e+00 2.02 -1.342138434e-01 5.722499863e-01 1.376774487e+00 2.04 -2.900298339e-01 4.734364682e-01 1.287491835e+00 2.06 -4.365287430e-01 3.753873307e-01 1.198389423e+00 2.08 -5.740907891e-01 2.781140468e-01 1.109476179e+00 2.10 -7.030544443e-01 1.815406378e-01 1.020934749e+00 2.12 -8.237617257e-01 8.796151163e-02 9.351974739e-01 2.14 -9.365360974e-01 -4.382941844e-04 8.530970203e-01 2.16 -1.041685335e+00 -8.380419078e-02 7.745443735e-01 2.18 -1.139502889e+00 -1.622773472e-01 6.994633793e-01 2.20 -1.230270151e+00 -2.360086179e-01 6.277753879e-01 2.22 -1.314257701e+00 -3.051497909e-01 5.594008537e-01 2.24 -1.391727023e+00 -3.698537307e-01 4.942600139e-01 2.26 -1.462931815e+00 -4.302726902e-01 4.322722937e-01 2.28 -1.528119330e+00 -4.865578261e-01 3.733568920e-01 2.30 -1.587549815e+00 -5.388604775e-01 3.174328315e-01 2.32 -1.641506420e+00 -5.873328086e-01 2.644188465e-01 2.34 -1.690272246e+00 -6.321262455e-01 2.142335305e-01 2.36 -1.734129058e+00 -6.733913476e-01 1.667954168e-01 2.38 -1.773359068e+00 -7.112779361e-01 1.220232745e-01 2.40 -1.808245387e+00 -7.459350011e-01 7.983570093e-02 2.42 -1.839073478e+00 -7.775141115e-01 4.015119750e-02 2.44 -1.866131625e+00 -8.061778497e-01 2.888171606e-03 2.46 -1.889711835e+00 -8.320914583e-01 -3.203462842e-02 2.48 -1.910110380e+00 -8.554195856e-01 -6.469793762e-02 2.50 -1.927628165e+00 -8.763263019e-01 -9.518235574e-02 2.52 -1.942571801e+00 -8.949742444e-01 -1.235714498e-01 2.54 -1.955234814e+00 -9.115226991e-01 -1.499533599e-01 2.56 -1.965763093e+00 -9.261193364e-01 -1.744160718e-01 2.58 -1.974210812e+00 -9.389040721e-01 -1.970470362e-01 2.60 -1.980629012e+00 -9.500152585e-01 -2.179332174e-01 2.62 -1.985065416e+00 -9.595896941e-01 -2.371610914e-01 2.64 -1.987564516e+00 -9.677625941e-01 -2.548166340e-01 2.66 -1.988167299e+00 -9.746675461e-01 -2.709852142e-01 2.68 -1.986911067e+00 -9.804366322e-01 -2.857518013e-01 2.70 -1.983829125e+00 -9.851715125e-01 -2.992007477e-01 2.72 -1.978950391e+00 -9.889166520e-01 -3.114160157e-01 2.74 -1.972299028e+00 -9.917086378e-01 -3.224810683e-01 2.76 -1.963893875e+00 -9.935824709e-01 -3.324788853e-01 2.78 -1.953747579e+00 -9.945713855e-01 -3.414920674e-01 2.80 -1.941888143e+00 -9.947112119e-01 -3.496027212e-01 2.82 -1.928402952e+00 -9.940486256e-01 -3.568925124e-01 2.84 -1.913396955e+00 -9.926325580e-01 -3.634423340e-01 2.86 -1.896980076e+00 -9.905116002e-01 -3.693113530e-01 2.88 -1.879268131e+00 -9.877342553e-01 -3.745311642e-01 2.90 -1.860383492e+00 -9.843490190e-01 -3.791313413e-01 2.92 -1.840455569e+00 -9.804044514e-01 -3.831410901e-01 2.94 -1.819621235e+00 -9.759492884e-01 -3.865892618e-01 2.96 -1.798025185e+00 -9.710323979e-01 -3.895044565e-01 2.98 -1.775820129e+00 -9.657004305e-01 -3.919149426e-01 3.00 -1.753166958e+00 -9.599979105e-01 -3.938487481e-01 3.02 -1.730234473e+00 -9.539696577e-01 -3.953336192e-01 3.04 -1.707197393e+00 -9.476607063e-01 -3.963970479e-01 3.06 -1.684147281e+00 -9.411077870e-01 -3.970663112e-01 3.08 -1.661074848e+00 -9.343375429e-01 -3.973684455e-01 3.10 -1.637962377e+00 -9.273752964e-01 -3.973303006e-01 3.12 -1.614788841e+00 -9.202456063e-01 -3.969785149e-01 3.14 -1.591530118e+00 -9.129722720e-01 -3.963395556e-01 3.16 -1.568159078e+00 -9.055783980e-01 -3.954397113e-01 3.18 -1.544645627e+00 -8.980863924e-01 -3.943047722e-01 3.20 -1.520956768e+00 -8.905179921e-01 -3.929517116e-01 3.22 -1.497056614e+00 -8.828943386e-01 -3.913875699e-01 3.24 -1.472906421e+00 -8.752329063e-01 -3.896187785e-01 3.26 -1.448464594e+00 -8.675263311e-01 -3.876516131e-01 3.28 -1.423686544e+00 -8.597537686e-01 -3.854922350e-01 3.30 -1.398535566e+00 -8.518949107e-01 -3.831466662e-01 3.32 -1.373046216e+00 -8.439378354e-01 -3.806211969e-01 3.34 -1.347287174e+00 -8.358840241e-01 -3.779261357e-01 3.36 -1.321329507e+00 -8.277414596e-01 -3.750743596e-01 3.38 -1.295247158e+00 -8.195185609e-01 -3.720787931e-01 3.40 -1.269116846e+00 -8.112240862e-01 -3.689523614e-01 3.42 -1.243018060e+00 -8.028671516e-01 -3.657080035e-01 3.44 -1.217033012e+00 -7.944572369e-01 -3.623586605e-01 3.46 -1.191246626e+00 -7.860041611e-01 -3.589172836e-01 3.48 -1.165746415e+00 -7.775180683e-01 -3.553968311e-01 3.50 -1.140622453e+00 -7.690093848e-01 -3.518102619e-01 3.52 -1.115967186e+00 -7.604909197e-01 -3.481704386e-01 3.54 -1.091875674e+00 -7.519831352e-01 -3.444875948e-01 3.56 -1.068383626e+00 -7.435026702e-01 -3.407694720e-01 3.58 -1.045388970e+00 -7.350522654e-01 -3.370237019e-01 3.60 -1.022762942e+00 -7.266318883e-01 -3.332579255e-01 3.62 -1.000372063e+00 -7.182409376e-01 -3.294797890e-01 3.64 -9.780778694e-01 -7.098782255e-01 -3.256969450e-01 3.66 -9.557369555e-01 -7.015419756e-01 -3.219170511e-01 3.68 -9.332009913e-01 -6.932298232e-01 -3.181477717e-01 3.70 -9.103166274e-01 -6.849387937e-01 -3.143967743e-01 3.72 -8.869253171e-01 -6.766652919e-01 -3.106717334e-01 3.74 -8.628630743e-01 -6.684050643e-01 -3.069803261e-01 3.76 -8.379601000e-01 -6.601531396e-01 -3.033302348e-01 3.78 -8.120402211e-01 -6.519037587e-01 -2.997291479e-01 3.80 -7.849316314e-01 -6.436472274e-01 -2.961847538e-01 3.82 -7.566554924e-01 -6.353869963e-01 -2.927047494e-01 3.84 -7.274106792e-01 -6.271453520e-01 -2.892968204e-01 3.86 -6.974115773e-01 -6.189464070e-01 -2.859683558e-01 3.88 -6.668820981e-01 -6.108154450e-01 -2.827210328e-01 3.90 -6.360563374e-01 -6.027790006e-01 -2.795516920e-01 3.92 -6.051788597e-01 -5.948648893e-01 -2.764570779e-01 3.94 -5.745047899e-01 -5.871022387e-01 -2.734339199e-01 3.96 -5.442996230e-01 -5.795214822e-01 -2.704789527e-01 3.98 -5.148389010e-01 -5.721542917e-01 -2.675889082e-01 4.00 -4.864075657e-01 -5.650335073e-01 -2.647605244e-01 4.02 -4.592989976e-01 -5.581930187e-01 -2.619905356e-01 4.04 -4.338148785e-01 -5.516677220e-01 -2.592756790e-01 4.06 -4.102117767e-01 -5.454874138e-01 -2.566126935e-01 4.08 -3.884987220e-01 -5.396485038e-01 -2.539983146e-01 4.10 -3.685961659e-01 -5.341314151e-01 -2.514292807e-01 4.12 -3.504197454e-01 -5.289157722e-01 -2.489023373e-01 4.14 -3.338794591e-01 -5.239790878e-01 -2.464136371e-01 4.16 -3.188805254e-01 -5.192932427e-01 -2.439571961e-01 4.18 -3.053237493e-01 -5.148281942e-01 -2.415264374e-01 4.20 -2.931060812e-01 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