# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--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 As As As Ga Ga Ga 0.02 1.267530010e+03 1.304381939e+03 1.198379229e+02 0.04 1.194632597e+03 1.235574828e+03 1.148101605e+02 0.06 1.125796804e+03 1.170263097e+03 1.099768506e+02 0.08 1.060799923e+03 1.108273706e+03 1.053308282e+02 0.10 9.994313519e+02 1.049442020e+03 1.008651842e+02 0.12 9.414919473e+02 9.936114110e+02 9.657325587e+01 0.14 8.867933979e+02 9.406328734e+02 9.244861899e+01 0.16 8.351576404e+02 8.903646566e+02 8.848507899e+01 0.18 7.864163042e+02 8.426719181e+02 8.467666314e+01 0.20 7.404101863e+02 7.974263917e+02 8.101761277e+01 0.22 6.969887547e+02 7.545060712e+02 7.750237574e+01 0.24 6.560096785e+02 7.137949095e+02 7.412559924e+01 0.26 6.173383838e+02 6.751825322e+02 7.088212279e+01 0.28 5.808476329e+02 6.385639641e+02 6.776697151e+01 0.30 5.464171267e+02 6.038393698e+02 6.477534960e+01 0.32 5.139331287e+02 5.709138053e+02 6.190263405e+01 0.34 4.832881091e+02 5.396969826e+02 5.914436859e+01 0.36 4.543804078e+02 5.101030450e+02 5.649625780e+01 0.38 4.271139165e+02 4.820503529e+02 5.395416146e+01 0.40 4.013977772e+02 4.554612806e+02 5.151408913e+01 0.42 3.771460971e+02 4.302620217e+02 4.917219479e+01 0.44 3.542776795e+02 4.063824044e+02 4.692477183e+01 0.46 3.327157687e+02 3.837557162e+02 4.476824808e+01 0.48 3.123878086e+02 3.623185356e+02 4.269918110e+01 0.50 2.932252148e+02 3.420105729e+02 4.071425356e+01 0.52 2.751631589e+02 3.227745184e+02 3.881026887e+01 0.54 2.581403644e+02 3.045558977e+02 3.698414684e+01 0.56 2.420989133e+02 2.873029339e+02 3.523291963e+01 0.58 2.269840641e+02 2.709664166e+02 3.355372771e+01 0.60 2.127440785e+02 2.554995769e+02 3.194381607e+01 0.62 1.993300584e+02 2.408579689e+02 3.040053047e+01 0.64 1.866957912e+02 2.269993564e+02 2.892131389e+01 0.66 1.747976037e+02 2.138836048e+02 2.750370305e+01 0.68 1.635942240e+02 2.014725793e+02 2.614532512e+01 0.70 1.530466506e+02 1.897300467e+02 2.484389444e+01 0.72 1.431180285e+02 1.786215830e+02 2.359720946e+01 0.74 1.337735327e+02 1.681144842e+02 2.240314974e+01 0.76 1.249802575e+02 1.581776830e+02 2.125967303e+01 0.78 1.167071114e+02 1.487816681e+02 2.016481250e+01 0.80 1.089247186e+02 1.398984080e+02 1.911667403e+01 0.82 1.016053253e+02 1.315012787e+02 1.811343361e+01 0.84 9.472271122e+01 1.235649941e+02 1.715333486e+01 0.86 8.825210563e+01 1.160655409e+02 1.623468657e+01 0.88 8.217010849e+01 1.089801154e+02 1.535586037e+01 0.90 7.645461540e+01 1.022870646e+02 1.451528848e+01 0.92 7.108474682e+01 9.596582876e+01 1.371146156e+01 0.94 6.604078110e+01 8.999688819e+01 1.294292654e+01 0.96 6.130409116e+01 8.436171151e+01 1.220828469e+01 0.98 5.685708457e+01 7.904270701e+01 1.150618955e+01 1.00 5.268314691e+01 7.402317610e+01 1.083534516e+01 1.02 4.876658821e+01 6.928726920e+01 1.019450415e+01 1.04 4.509259230e+01 6.481994362e+01 9.582466036e+00 1.06 4.164716891e+01 6.060692356e+01 8.998075489e+00 1.08 3.841710836e+01 5.663466209e+01 8.440220728e+00 1.10 3.538993874e+01 5.289030489e+01 7.907831933e+00 1.12 3.255388539e+01 4.936165585e+01 7.399879718e+00 1.14 2.989783262e+01 4.603714425e+01 6.915373669e+00 1.16 2.741128749e+01 4.290579364e+01 6.453360925e+00 1.18 2.508434554e+01 3.995719220e+01 6.012924816e+00 1.20 2.290765847e+01 3.718146448e+01 5.593183537e+00 1.22 2.087240345e+01 3.456924466e+01 5.193288886e+00 1.24 1.897025425e+01 3.211165099e+01 4.812425031e+00 1.26 1.719335379e+01 2.980026156e+01 4.449807331e+00 1.28 1.553428834e+01 2.762709123e+01 4.104681193e+00 1.30 1.398606300e+01 2.558456969e+01 3.776320975e+00 1.32 1.254207862e+01 2.366552060e+01 3.464028921e+00 1.34 1.119610986e+01 2.186314176e+01 3.167134138e+00 1.36 9.942284584e+00 2.017098626e+01 2.884991614e+00 1.38 8.775064291e+00 1.858294453e+01 2.616981260e+00 1.40 7.689225625e+00 1.709322732e+01 2.362506993e+00 1.42 6.679842925e+00 1.569634949e+01 2.120995857e+00 1.44 5.742271706e+00 1.438711458e+01 1.891897159e+00 1.46 4.872133052e+00 1.316060020e+01 1.674681655e+00 1.48 4.065298861e+00 1.201214408e+01 1.468840754e+00 1.50 3.317877901e+00 1.093733087e+01 1.273885749e+00 1.52 2.626202622e+00 9.931979539e+00 1.089347082e+00 1.54 1.986816703e+00 8.992131431e+00 9.147736350e-01 1.56 1.396463268e+00 8.114038913e+00 7.497320395e-01 1.58 8.520737586e-01 7.294154578e+00 5.938060184e-01 1.60 3.507574151e-01 6.529120985e+00 4.465957473e-01 1.62 -1.102086692e-01 5.815760916e+00 3.077172403e-01 1.64 -5.333889429e-01 5.151068116e+00 1.768017578e-01 1.66 -9.211982761e-01 4.532198494e+00 5.349523520e-02 1.68 -1.275910352e+00 3.956461765e+00 -6.254226730e-02 1.70 -1.599665598e+00 3.421313506e+00 -1.716370954e-01 1.72 -1.894478677e+00 2.924347621e+00 -2.741025120e-01 1.74 -2.162245567e+00 2.463289167e+00 -3.702391899e-01 1.76 -2.404750255e+00 2.035987555e+00 -4.603356872e-01 1.78 -2.623671055e+00 1.640410084e+00 -5.446689047e-01 1.80 -2.820586579e+00 1.274635802e+00 -6.235045270e-01 1.82 -2.996981383e+00 9.368496791e-01 -6.970974479e-01 1.84 -3.154251294e+00 6.253370700e-01 -7.656921803e-01 1.86 -3.293708448e+00 3.384784588e-01 -8.295232501e-01 1.88 -3.416586046e+00 7.474446915e-02 -8.888155775e-01 1.90 -3.524042845e+00 -1.673088739e-01 -9.437848429e-01 1.92 -3.617167407e+00 -3.890446413e-01 -9.946378402e-01 1.94 -3.696982103e+00 -5.917492692e-01 -1.041572817e+00 1.96 -3.764446903e+00 -7.766366116e-01 -1.084779803e+00 1.98 -3.820462951e+00 -9.448517865e-01 -1.124440923e+00 2.00 -3.865875939e+00 -1.097474826e+00 -1.160730705e+00 2.02 -3.901479300e+00 -1.235524141e+00 -1.193816372e+00 2.04 -3.928017217e+00 -1.359959807e+00 -1.223858121e+00 2.06 -3.946187466e+00 -1.471686683e+00 -1.251009398e+00 2.08 -3.956644105e+00 -1.571557372e+00 -1.275417161e+00 2.10 -3.960000000e+00 -1.660375027e+00 -1.297222127e+00 2.12 -3.956829227e+00 -1.738896013e+00 -1.316559021e+00 2.14 -3.947669327e+00 -1.807832435e+00 -1.333556806e+00 2.16 -3.933023434e+00 -1.867854529e+00 -1.348338907e+00 2.18 -3.913362297e+00 -1.919592940e+00 -1.361023432e+00 2.20 -3.889126171e+00 -1.963640870e+00 -1.371723379e+00 2.22 -3.860726614e+00 -2.000556126e+00 -1.380546833e+00 2.24 -3.828548177e+00 -2.030863053e+00 -1.387597168e+00 2.26 -3.792950002e+00 -2.055054368e+00 -1.392973226e+00 2.28 -3.754267326e+00 -2.073592907e+00 -1.396769497e+00 2.30 -3.712812905e+00 -2.086913268e+00 -1.399076295e+00 2.32 -3.668878351e+00 -2.095423375e+00 -1.399979925e+00 2.34 -3.622735399e+00 -2.099505963e+00 -1.399562836e+00 2.36 -3.574637100e+00 -2.099519977e+00 -1.397903782e+00 2.38 -3.524818945e+00 -2.095801905e+00 -1.395077967e+00 2.40 -3.473499926e+00 -2.088667036e+00 -1.391157189e+00 2.42 -3.420883535e+00 -2.078410651e+00 -1.386209974e+00 2.44 -3.367158712e+00 -2.065309158e+00 -1.380301714e+00 2.46 -3.312500729e+00 -2.049621158e+00 -1.373494787e+00 2.48 -3.257072030e+00 -2.031588460e+00 -1.365848684e+00 2.50 -3.201023023e+00 -2.011437037e+00 -1.357420124e+00 2.52 -3.144492823e+00 -1.989377941e+00 -1.348263171e+00 2.54 -3.087609952e+00 -1.965608156e+00 -1.338429337e+00 2.56 -3.030493006e+00 -1.940311411e+00 -1.327967692e+00 2.58 -2.973251269e+00 -1.913658956e+00 -1.316924960e+00 2.60 -2.915985311e+00 -1.885810283e+00 -1.305345619e+00 2.62 -2.858787529e+00 -1.856913821e+00 -1.293271994e+00 2.64 -2.801742677e+00 -1.827107582e+00 -1.280744346e+00 2.66 -2.744928350e+00 -1.796519781e+00 -1.267800955e+00 2.68 -2.688415449e+00 -1.765269416e+00 -1.254478210e+00 2.70 -2.632268614e+00 -1.733466822e+00 -1.240810678e+00 2.72 -2.576546632e+00 -1.701214187e+00 -1.226831193e+00 2.74 -2.521302823e+00 -1.668606049e+00 -1.212570919e+00 2.76 -2.466585402e+00 -1.635729758e+00 -1.198059425e+00 2.78 -2.412437817e+00 -1.602665914e+00 -1.183324753e+00 2.80 -2.358899072e+00 -1.569488787e+00 -1.168393485e+00 2.82 -2.306004029e+00 -1.536266702e+00 -1.140689715e+00 2.84 -2.253783687e+00 -1.503062416e+00 -1.088846154e+00 2.86 -2.202265451e+00 -1.469933461e+00 -1.015460274e+00 2.88 -2.151473381e+00 -1.436932478e+00 -9.240192823e-01 2.90 -2.101428427e+00 -1.404107526e+00 -8.187178829e-01 2.92 -2.052148651e+00 -1.363059642e+00 -7.042491122e-01 2.94 -2.003649431e+00 -1.306385293e+00 -5.855787124e-01 2.96 -1.955943662e+00 -1.235873727e+00 -4.677139316e-01 2.98 -1.909041928e+00 -1.153596437e+00 -3.554775287e-01 3.00 -1.862952686e+00 -1.061837696e+00 -2.532971640e-01 3.02 -1.817682414e+00 -9.630228204e-01 -1.650193007e-01 3.04 -1.773235774e+00 -8.596463308e-01 -9.375530787e-02 3.06 -1.729615742e+00 -7.542019826e-01 -4.176571088e-02 3.08 -1.686823750e+00 -6.491165299e-01 -1.038658254e-02 3.10 -1.644859804e+00 -5.466888358e-01 0.000000000e+00 3.12 -1.603722602e+00 -4.490357137e-01 0.000000000e+00 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