# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1998--Liu-X-Y-Adams-J-B--Al-Mg # implementation = 1998--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 9.275271881e+00 1.000489994e+01 1.011185333e+01 0.04 9.719437838e+00 9.971969435e+00 1.002420156e+01 0.06 1.013364607e+01 9.935614779e+00 9.936772630e+00 0.08 1.051861455e+01 9.895915100e+00 9.849558179e+00 0.10 1.087506124e+01 9.852949547e+00 9.762549006e+00 0.12 1.120370411e+01 9.806797794e+00 9.675736407e+00 0.14 1.150526111e+01 9.757543276e+00 9.589111631e+00 0.16 1.178045023e+01 9.705270512e+00 9.502665899e+00 0.18 1.202998943e+01 9.650064567e+00 9.416390418e+00 0.20 1.225459666e+01 9.592010257e+00 9.330276387e+00 0.22 1.245498991e+01 9.531192437e+00 9.244315029e+00 0.24 1.263188713e+01 9.467695967e+00 9.158497574e+00 0.26 1.278600629e+01 9.401605708e+00 9.072815252e+00 0.28 1.291806536e+01 9.333006514e+00 8.987259251e+00 0.30 1.302878231e+01 9.261983243e+00 8.901820785e+00 0.32 1.311887510e+01 9.188620756e+00 8.816491078e+00 0.34 1.318906169e+01 9.113003913e+00 8.731261372e+00 0.36 1.324006006e+01 9.035217564e+00 8.646122864e+00 0.38 1.327258817e+01 8.955346571e+00 8.561066758e+00 0.40 1.328736399e+01 8.873475803e+00 8.476084278e+00 0.42 1.328510548e+01 8.789690105e+00 8.391166650e+00 0.44 1.326653061e+01 8.704074335e+00 8.306305090e+00 0.46 1.323235735e+01 8.616713358e+00 8.221490807e+00 0.48 1.318330366e+01 8.527692034e+00 8.136715017e+00 0.50 1.312008751e+01 8.437095209e+00 8.051968941e+00 0.52 1.304342687e+01 8.345007747e+00 7.967243795e+00 0.54 1.295403970e+01 8.251514523e+00 7.882530797e+00 0.56 1.285264396e+01 8.156700373e+00 7.797821160e+00 0.58 1.273995764e+01 8.060650158e+00 7.713106104e+00 0.60 1.261669868e+01 7.963448744e+00 7.628376844e+00 0.62 1.248358506e+01 7.865180992e+00 7.543624593e+00 0.64 1.234133475e+01 7.765931744e+00 7.458840571e+00 0.66 1.219066571e+01 7.665785866e+00 7.374015998e+00 0.68 1.203229591e+01 7.564828238e+00 7.289142093e+00 0.70 1.186694331e+01 7.463143689e+00 7.204210059e+00 0.72 1.169532588e+01 7.360817082e+00 7.119211116e+00 0.74 1.151816159e+01 7.257933285e+00 7.034136489e+00 0.76 1.133616840e+01 7.154577117e+00 6.948977452e+00 0.78 1.115006428e+01 7.050833525e+00 6.863724985e+00 0.80 1.096056720e+01 6.946787359e+00 6.778370676e+00 0.82 1.076839513e+01 6.842521949e+00 6.692907710e+00 0.84 1.057426602e+01 6.738112755e+00 6.607335174e+00 0.86 1.037889784e+01 6.633633535e+00 6.521652489e+00 0.88 1.018300857e+01 6.529157190e+00 6.435859410e+00 0.90 9.987316171e+00 6.424757037e+00 6.349955518e+00 0.92 9.792482195e+00 6.320499861e+00 6.263940460e+00 0.94 9.598430345e+00 6.216368079e+00 6.177813874e+00 0.96 9.405052658e+00 6.112340353e+00 6.091575387e+00 0.98 9.212340468e+00 6.008406666e+00 6.005224598e+00 1.00 9.020290156e+00 5.904557670e+00 5.918761149e+00 1.02 8.828897310e+00 5.800783925e+00 5.832184689e+00 1.04 8.638157149e+00 5.697075936e+00 5.745494844e+00 1.06 8.448064858e+00 5.593424207e+00 5.658691226e+00 1.08 8.258615530e+00 5.489819227e+00 5.571773461e+00 1.10 8.069804273e+00 5.386251479e+00 5.484741190e+00 1.12 7.881626402e+00 5.282711479e+00 5.397594049e+00 1.14 7.694077343e+00 5.179189719e+00 5.310331662e+00 1.16 7.507152440e+00 5.075676690e+00 5.222953648e+00 1.18 7.320846749e+00 4.972162892e+00 5.135459631e+00 1.20 7.135155265e+00 4.868638851e+00 5.047849257e+00 1.22 6.950073115e+00 4.765095056e+00 4.960122159e+00 1.24 6.765595618e+00 4.661521978e+00 4.872277961e+00 1.26 6.581718095e+00 4.557910160e+00 4.784316268e+00 1.28 6.398435770e+00 4.454250094e+00 4.696236723e+00 1.30 6.215743842e+00 4.350532259e+00 4.608038973e+00 1.32 6.033637522e+00 4.246747143e+00 4.519722646e+00 1.34 5.852112014e+00 4.142885280e+00 4.431287345e+00 1.36 5.671162432e+00 4.038937153e+00 4.342732702e+00 1.38 5.490783884e+00 3.934893211e+00 4.254058363e+00 1.40 5.310971635e+00 3.830744027e+00 4.165263962e+00 1.42 5.131721084e+00 3.726480095e+00 4.076349116e+00 1.44 4.953027591e+00 3.622091899e+00 3.987313445e+00 1.46 4.774886264e+00 3.517570075e+00 3.898156582e+00 1.48 4.597292119e+00 3.412904713e+00 3.808878169e+00 1.50 4.420240258e+00 3.308086561e+00 3.719477837e+00 1.52 4.243725973e+00 3.203112664e+00 3.629955213e+00 1.54 4.067744578e+00 3.098004526e+00 3.540310040e+00 1.56 3.892291314e+00 2.992787498e+00 3.450541189e+00 1.58 3.717361376e+00 2.887488971e+00 3.360650508e+00 1.60 3.542949973e+00 2.782135311e+00 3.270645182e+00 1.62 3.369052318e+00 2.676753086e+00 3.180538005e+00 1.64 3.195663545e+00 2.571368834e+00 3.090342002e+00 1.66 3.022778773e+00 2.466009083e+00 3.000069962e+00 1.68 2.850393223e+00 2.360700398e+00 2.909734683e+00 1.70 2.678502265e+00 2.255469329e+00 2.819348972e+00 1.72 2.507101259e+00 2.150342426e+00 2.728925639e+00 1.74 2.336185363e+00 2.045346250e+00 2.638477505e+00 1.76 2.165749621e+00 1.940507325e+00 2.548017380e+00 1.78 1.995789117e+00 1.835852232e+00 2.457558076e+00 1.80 1.826299118e+00 1.731407562e+00 2.367112407e+00 1.82 1.657274927e+00 1.627199794e+00 2.276693189e+00 1.84 1.488711797e+00 1.523255495e+00 2.186313232e+00 1.86 1.320604923e+00 1.419601241e+00 2.095985345e+00 1.88 1.152949511e+00 1.316263587e+00 2.005722338e+00 1.90 9.857407789e-01 1.213269001e+00 1.915537042e+00 1.92 8.189738814e-01 1.110644099e+00 1.825442266e+00 1.94 6.526439484e-01 1.008415542e+00 1.735450808e+00 1.96 4.867461726e-01 9.066096996e-01 1.645575474e+00 1.98 3.212758917e-01 8.052531710e-01 1.555829100e+00 2.00 1.562458053e-01 7.043728847e-01 1.466224510e+00 2.02 -8.463156857e-03 6.039932531e-01 1.376774492e+00 2.04 -1.686031330e-01 5.042158647e-01 1.287491849e+00 2.06 -3.195355719e-01 4.051446145e-01 1.198389406e+00 2.08 -4.615915558e-01 3.068031584e-01 1.109476168e+00 2.10 -5.950722924e-01 2.091280440e-01 1.020934780e+00 2.12 -7.202920239e-01 1.144241274e-01 9.351974731e-01 2.14 -8.375547734e-01 2.487398507e-02 8.530970223e-01 2.16 -9.471555053e-01 -5.966142994e-02 7.745443688e-01 2.18 -1.049381171e+00 -1.393176185e-01 6.994633543e-01 2.20 -1.144510839e+00 -2.142410826e-01 6.277753910e-01 2.22 -1.232816821e+00 -2.845782350e-01 5.594008939e-01 2.24 -1.314565305e+00 -3.504788953e-01 4.942600172e-01 2.26 -1.390016514e+00 -4.120934481e-01 4.322722428e-01 2.28 -1.459425813e+00 -4.695713380e-01 3.733568740e-01 2.30 -1.523051082e+00 -5.230610554e-01 3.174328525e-01 2.32 -1.581156278e+00 -5.727099314e-01 2.644188438e-01 2.34 -1.634002743e+00 -6.186641759e-01 2.142335221e-01 2.36 -1.681848138e+00 -6.610691967e-01 1.667954540e-01 2.38 -1.724946846e+00 -7.000691492e-01 1.220232800e-01 2.40 -1.763550627e+00 -7.358067885e-01 7.983566325e-02 2.42 -1.797908462e+00 -7.684272370e-01 4.015117926e-02 2.44 -1.828266992e+00 -7.980858237e-01 2.888159976e-03 2.46 -1.854870923e+00 -8.249398257e-01 -3.203459561e-02 2.48 -1.877962920e+00 -8.491451942e-01 -6.469788770e-02 2.50 -1.897784316e+00 -8.708565072e-01 -9.518235191e-02 2.52 -1.914538285e+00 -8.902265370e-01 -1.235714743e-01 2.54 -1.928370989e+00 -9.074069727e-01 -1.499533810e-01 2.56 -1.939428380e+00 -9.225490579e-01 -1.744160617e-01 2.58 -1.947857682e+00 -9.358029480e-01 -1.970470217e-01 2.60 -1.953807378e+00 -9.473175364e-01 -2.179332280e-01 2.62 -1.957427865e+00 -9.572406842e-01 -2.371611126e-01 2.64 -1.958871596e+00 -9.657191500e-01 -2.548166489e-01 2.66 -1.958293429e+00 -9.728985570e-01 -2.709852091e-01 2.68 -1.955851155e+00 -9.789237475e-01 -2.857517714e-01 2.70 -1.951705588e+00 -9.839104695e-01 -2.992007043e-01 2.72 -1.946021106e+00 -9.879193458e-01 -3.114159741e-01 2.74 -1.938954256e+00 -9.910042344e-01 -3.224810422e-01 2.76 -1.930615781e+00 -9.932165440e-01 -3.324788899e-01 2.78 -1.921066884e+00 -9.946022912e-01 -3.414921080e-01 2.80 -1.910359007e+00 -9.952055187e-01 -3.496027871e-01 2.82 -1.898543461e+00 -9.950692415e-01 -3.568925865e-01 2.84 -1.885671251e+00 -9.942356105e-01 -3.634423994e-01 2.86 -1.871793085e+00 -9.927457845e-01 -3.693113948e-01 2.88 -1.856959311e+00 -9.906400462e-01 -3.745311708e-01 2.90 -1.841219951e+00 -9.879578535e-01 -3.791313117e-01 2.92 -1.824624648e+00 -9.847377920e-01 -3.831410349e-01 2.94 -1.807222844e+00 -9.810177269e-01 -3.865892001e-01 2.96 -1.789054954e+00 -9.768346268e-01 -3.895044046e-01 2.98 -1.770130916e+00 -9.722215589e-01 -3.919149072e-01 3.00 -1.750471003e+00 -9.672096849e-01 -3.938487287e-01 3.02 -1.730117666e+00 -9.618316578e-01 -3.953336108e-01 3.04 -1.709116476e+00 -9.561199206e-01 -3.963970469e-01 3.06 -1.687515287e+00 -9.501066358e-01 -3.970663147e-01 3.08 -1.665364402e+00 -9.438237131e-01 -3.973684511e-01 3.10 -1.642716591e+00 -9.373028652e-01 -3.973303060e-01 3.12 -1.619627063e+00 -9.305756356e-01 -3.969785182e-01 3.14 -1.596153432e+00 -9.236734016e-01 -3.963395546e-01 3.16 -1.572355706e+00 -9.166274490e-01 -3.954397054e-01 3.18 -1.548296647e+00 -9.094689435e-01 -3.943047624e-01 3.20 -1.524043070e+00 -9.022289930e-01 -3.929517004e-01 3.22 -1.499660548e+00 -8.949382715e-01 -3.913875609e-01 3.24 -1.475190493e+00 -8.876215252e-01 -3.896187760e-01 3.26 -1.450664328e+00 -8.802770424e-01 -3.876516199e-01 3.28 -1.426113833e+00 -8.728894947e-01 -3.854922524e-01 3.30 -1.401570976e+00 -8.654432404e-01 -3.831466939e-01 3.32 -1.377067961e+00 -8.579233323e-01 -3.806212335e-01 3.34 -1.352637172e+00 -8.503245513e-01 -3.779261791e-01 3.36 -1.328311137e+00 -8.426479270e-01 -3.750744070e-01 3.38 -1.304122517e+00 -8.348946052e-01 -3.720788424e-01 3.40 -1.280102904e+00 -8.270657635e-01 -3.689524111e-01 3.42 -1.256275157e+00 -8.191626112e-01 -3.657080520e-01 3.44 -1.232657917e+00 -8.111864045e-01 -3.623587062e-01 3.46 -1.209254145e+00 -8.031367885e-01 -3.589173250e-01 3.48 -1.186034130e+00 -7.950100348e-01 -3.553968666e-01 3.50 -1.162962088e+00 -7.868017044e-01 -3.518102901e-01 3.52 -1.140000291e+00 -7.785106342e-01 -3.481704579e-01 3.54 -1.117109046e+00 -7.701476848e-01 -3.444876042e-01 3.56 -1.094246771e+00 -7.617269872e-01 -3.407694707e-01 3.58 -1.071370008e+00 -7.532624059e-01 -3.370236897e-01 3.60 -1.048433457e+00 -7.447676097e-01 -3.332579028e-01 3.62 -1.025390395e+00 -7.362560712e-01 -3.294797567e-01 3.64 -1.002197452e+00 -7.277410680e-01 -3.256969044e-01 3.66 -9.788129237e-01 -7.192356723e-01 -3.219170035e-01 3.68 -9.551942043e-01 -7.107528593e-01 -3.181477183e-01 3.70 -9.313107512e-01 -7.023068564e-01 -3.143967164e-01 3.72 -9.071414773e-01 -6.939128875e-01 -3.106716725e-01 3.74 -8.826645585e-01 -6.855860906e-01 -3.069802639e-01 3.76 -8.578570779e-01 -6.773414856e-01 -3.033301732e-01 3.78 -8.326949856e-01 -6.691939567e-01 -2.997290888e-01 3.80 -8.071530753e-01 -6.611511612e-01 -2.961846994e-01 3.82 -7.812048910e-01 -6.532071035e-01 -2.927047022e-01 3.84 -7.548218129e-01 -6.453540264e-01 -2.892967825e-01 3.86 -7.279572217e-01 -6.375840542e-01 -2.859683286e-01 3.88 -7.005479423e-01 -6.298891642e-01 -2.827210173e-01 3.90 -6.725278231e-01 -6.222610654e-01 -2.795516883e-01 3.92 -6.438742474e-01 -6.146960476e-01 -2.764570860e-01 3.94 -6.147387227e-01 -6.072087764e-01 -2.734339389e-01 3.96 -5.853328583e-01 -5.998203299e-01 -2.704789816e-01 3.98 -5.558766900e-01 -5.925527637e-01 -2.675889455e-01 4.00 -5.265998873e-01 -5.854292345e-01 -2.647605684e-01 4.02 -4.977415809e-01 -5.784739769e-01 -2.619905850e-01 4.04 -4.695500209e-01 -5.717122598e-01 -2.592757326e-01 4.06 -4.422822191e-01 -5.651702167e-01 -2.566127499e-01 4.08 -4.162079296e-01 -5.588715074e-01 -2.539983727e-01 4.10 -3.916099760e-01 -5.528372069e-01 -2.514293392e-01 4.12 -3.687767536e-01 -5.470888979e-01 -2.489023952e-01 4.14 -3.479989796e-01 -5.416470166e-01 -2.464136935e-01 4.16 -3.294007153e-01 -5.365092150e-01 -2.439572500e-01 4.18 -3.128507637e-01 -5.316445838e-01 -2.415264880e-01 4.20 -2.981908611e-01 -5.270192311e-01 -2.391149906e-01 4.22 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