# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Murdick-D-A-Zhou-X-W-Wadley-H-N-G-et-al--Ga-As # implementation = 2006--Murdick-D-A--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 6.799160436e+02 7.304468872e+03 6.106165475e+02 0.04 6.799160436e+02 7.304468872e+03 6.106165475e+02 0.06 6.799160436e+02 7.304468872e+03 6.106165475e+02 0.08 6.799160436e+02 7.304468872e+03 6.106165475e+02 0.10 6.778655813e+02 7.300810825e+03 6.103828192e+02 0.12 5.245323796e+02 5.063023379e+03 4.615573613e+02 0.14 4.201075752e+02 3.708641521e+03 3.635829614e+02 0.16 3.458230295e+02 2.828472533e+03 2.951857315e+02 0.18 2.906895446e+02 2.224631828e+03 2.452428499e+02 0.20 2.484016180e+02 1.792624469e+03 2.074833804e+02 0.22 2.151030515e+02 1.473043149e+03 1.781309452e+02 0.24 1.883137254e+02 1.230088870e+03 1.547898840e+02 0.26 1.663720533e+02 1.041146979e+03 1.358748644e+02 0.28 1.481265069e+02 8.913629489e+02 1.202995449e+02 0.30 1.327560508e+02 7.706542977e+02 1.072972402e+02 0.32 1.196608425e+02 6.719827538e+02 9.631315845e+01 0.34 1.083933542e+02 5.903151050e+02 8.693698623e+01 0.36 9.861352813e+01 5.219751070e+02 7.885949783e+01 0.38 9.005876847e+01 4.642273147e+02 7.184373310e+01 0.40 8.252334016e+01 4.150024925e+02 6.570537966e+01 0.42 7.584400690e+01 3.727121460e+02 6.029918937e+01 0.44 6.988978426e+01 3.361206143e+02 5.550932610e+01 0.46 6.455440077e+01 3.042551080e+02 5.124241460e+01 0.48 5.975087355e+01 2.763414322e+02 4.742244446e+01 0.50 5.540736932e+01 2.517573402e+02 4.398699211e+01 0.52 5.146410846e+01 2.299981044e+02 4.088437122e+01 0.54 4.787096745e+01 2.106509536e+02 3.807146358e+01 0.56 4.458565158e+01 1.933756501e+02 3.551205186e+01 0.58 4.157224223e+01 1.778897946e+02 3.317551881e+01 0.60 3.880006574e+01 1.639574007e+02 3.103582818e+01 0.62 3.624278454e+01 1.513800654e+02 2.907071631e+01 0.64 3.387767371e+01 1.399900536e+02 2.726104808e+01 0.66 3.168503466e+01 1.296447259e+02 2.559029554e+01 0.68 2.964771221e+01 1.202222435e+02 2.404412340e+01 0.70 2.775071950e+01 1.116179940e+02 2.261004027e+01 0.72 2.598089549e+01 1.037417881e+02 2.127712020e+01 0.74 2.432665383e+01 9.651552749e+01 2.003577287e+01 0.76 2.277775774e+01 8.987130012e+01 1.887754617e+01 0.78 2.132512860e+01 8.374988257e+01 1.779496908e+01 0.80 1.996069304e+01 7.809939526e+01 1.678141569e+01 0.82 1.867725701e+01 7.287423523e+01 1.583099372e+01 0.84 1.746837947e+01 6.803424277e+01 1.493844706e+01 0.86 1.632829499e+01 6.354387911e+01 1.409907203e+01 0.88 1.525181517e+01 5.937165373e+01 1.330865371e+01 0.90 1.423426697e+01 5.548955207e+01 1.256340182e+01 0.92 1.327143405e+01 5.187260645e+01 1.185990118e+01 0.94 1.235949742e+01 4.849849373e+01 1.119506747e+01 0.96 1.149499817e+01 4.534721606e+01 1.056610979e+01 0.98 1.067479150e+01 4.240081514e+01 9.970496546e+00 1.00 9.896014770e+00 3.964312221e+01 9.405928321e+00 1.02 9.156058867e+00 3.705955609e+01 8.870311086e+00 1.04 8.452539055e+00 3.463693632e+01 8.361734167e+00 1.06 7.783272523e+00 3.236332116e+01 7.878454115e+00 1.08 7.146260655e+00 3.022787637e+01 7.418874365e+00 1.10 6.539665043e+00 2.822075003e+01 6.981529713e+00 1.12 5.961797765e+00 2.633296898e+01 6.565076971e+00 1.14 5.411101846e+00 2.455634477e+01 6.168281207e+00 1.16 4.886143719e+00 2.288339150e+01 5.790003233e+00 1.18 4.385597542e+00 2.130725606e+01 5.429193246e+00 1.20 3.908234040e+00 1.982165369e+01 5.084883217e+00 1.22 3.452918365e+00 1.842080991e+01 4.756175822e+00 1.24 3.018594320e+00 1.709941495e+01 4.442239905e+00 1.26 2.604281079e+00 1.585257317e+01 4.142308293e+00 1.28 2.209067211e+00 1.467576926e+01 3.855663944e+00 1.30 1.832099581e+00 1.356483002e+01 3.581642988e+00 1.32 1.472585209e+00 1.251589197e+01 3.319626718e+00 1.34 1.129780849e+00 1.152537712e+01 3.069039960e+00 1.36 8.029922170e-01 1.058996310e+01 2.829343228e+00 1.38 4.915662295e-01 9.706562315e+00 2.600035145e+00 1.40 1.948915814e-01 8.872302666e+00 2.380645421e+00 1.42 -8.761039088e-02 8.084507562e+00 2.170733147e+00 1.44 -3.564801324e-01 7.340679448e+00 1.969886856e+00 1.46 -6.122299158e-01 6.638484431e+00 1.777718417e+00 1.48 -8.553439594e-01 5.975740279e+00 1.593863942e+00 1.50 -1.086280890e+00 5.350404611e+00 1.417981215e+00 1.52 -1.305475493e+00 4.760559209e+00 1.249746974e+00 1.54 -1.513338176e+00 4.204404081e+00 1.088857373e+00 1.56 -1.710263987e+00 3.680249194e+00 9.350248352e-01 1.58 -1.896625030e+00 3.186501947e+00 7.879778402e-01 1.60 -2.072778254e+00 2.721662465e+00 6.474596190e-01 1.62 -2.239065984e+00 2.284315779e+00 5.132258524e-01 1.64 -2.395814061e+00 1.873125220e+00 3.850460195e-01 1.66 -2.543335551e+00 1.486829155e+00 2.627002926e-01 1.68 -2.681931404e+00 1.124231363e+00 1.459801503e-01 1.70 -2.811891709e+00 7.841989701e-01 3.468662542e-02 1.72 -2.933495272e+00 4.656593219e-01 -7.136979636e-02 1.74 -3.047010533e+00 1.675918379e-01 -1.723696325e-01 1.76 -3.152699014e+00 -1.109716471e-01 -2.684860512e-01 1.78 -3.250811665e+00 -3.709532376e-01 -3.598842197e-01 1.80 -3.341592928e+00 -6.132291615e-01 -4.467225517e-01 1.82 -3.425279431e+00 -8.386355540e-01 -5.291524940e-01 1.84 -3.502101965e+00 -1.047969756e+00 -6.073202606e-01 1.86 -3.572284238e+00 -1.241991798e+00 -6.813657934e-01 1.88 -3.636044296e+00 -1.421428445e+00 -7.514237840e-01 1.90 -3.693595025e+00 -1.586974095e+00 -8.176241952e-01 1.92 -3.745144171e+00 -1.739292863e+00 -8.800921241e-01 1.94 -3.790894819e+00 -1.879020360e+00 -9.389486466e-01 1.96 -3.831044713e+00 -2.006765209e+00 -9.943103488e-01 1.98 -3.865788199e+00 -2.123110726e+00 -1.046290346e+00 2.00 -3.895315841e+00 -2.228616464e+00 -1.094997977e+00 2.02 -3.919813215e+00 -2.323818426e+00 -1.140539463e+00 2.04 -3.939463178e+00 -2.409231559e+00 -1.183017479e+00 2.06 -3.954445082e+00 -2.485350052e+00 -1.222531949e+00 2.08 -3.964934627e+00 -2.552648220e+00 -1.259179895e+00 2.10 -3.971104183e+00 -2.611582352e+00 -1.293055941e+00 2.12 -3.973123302e+00 -2.662589815e+00 -1.324251824e+00 2.14 -3.971158286e+00 -2.706091878e+00 -1.352857087e+00 2.16 -3.965372777e+00 -2.742493193e+00 -1.378958919e+00 2.18 -3.955927098e+00 -2.772182890e+00 -1.402642573e+00 2.20 -3.942979193e+00 -2.795534381e+00 -1.423990765e+00 2.22 -3.926683779e+00 -2.812907596e+00 -1.443084761e+00 2.24 -3.907193025e+00 -2.824648185e+00 -1.460003803e+00 2.26 -3.884656515e+00 -2.831088290e+00 -1.474825245e+00 2.28 -3.859220761e+00 -2.832547259e+00 -1.487624746e+00 2.30 -3.831029880e+00 -2.829332256e+00 -1.498476337e+00 2.32 -3.800225026e+00 -2.821738461e+00 -1.507452512e+00 2.34 -3.766945147e+00 -2.810048819e+00 -1.514624249e+00 2.36 -3.731325622e+00 -2.794535671e+00 -1.520060723e+00 2.38 -3.693499970e+00 -2.775460472e+00 -1.523830115e+00 2.40 -3.653598582e+00 -2.753073772e+00 -1.525998713e+00 2.42 -3.611749059e+00 -2.727616299e+00 -1.526631856e+00 2.44 -3.568076473e+00 -2.699318658e+00 -1.525793546e+00 2.46 -3.522702768e+00 -2.668401979e+00 -1.523546094e+00 2.48 -3.475747704e+00 -2.635077988e+00 -1.519950847e+00 2.50 -3.427327337e+00 -2.599549501e+00 -1.515067842e+00 2.52 -3.377555872e+00 -2.562010176e+00 -1.508955772e+00 2.54 -3.326544075e+00 -2.522645777e+00 -1.501672234e+00 2.56 -3.274399735e+00 -2.481632814e+00 -1.493273519e+00 2.58 -3.221228152e+00 -2.439140978e+00 -1.483814786e+00 2.60 -3.167131700e+00 -2.395331006e+00 -1.473350160e+00 2.62 -3.112209316e+00 -2.350356681e+00 -1.461932315e+00 2.64 -3.056557721e+00 -2.304364166e+00 -1.449612961e+00 2.66 -3.000270406e+00 -2.257492512e+00 -1.436442562e+00 2.68 -2.943437457e+00 -2.209873966e+00 -1.422470616e+00 2.70 -2.886146974e+00 -2.161633578e+00 -1.407745317e+00 2.72 -2.828483106e+00 -2.112890256e+00 -1.392313546e+00 2.74 -2.770527729e+00 -2.063756546e+00 -1.376221718e+00 2.76 -2.712359471e+00 -2.014338634e+00 -1.359514272e+00 2.78 -2.654054002e+00 -1.964736989e+00 -1.342235239e+00 2.80 -2.595684207e+00 -1.915046189e+00 -1.324427037e+00 2.82 -2.537319908e+00 -1.865355284e+00 -1.306131248e+00 2.84 -2.479028092e+00 -1.815747976e+00 -1.287388223e+00 2.86 -2.420872708e+00 -1.766302774e+00 -1.268237194e+00 2.88 -2.362915084e+00 -1.717093176e+00 -1.248716321e+00 2.90 -2.305213457e+00 -1.668187979e+00 -1.228862599e+00 2.92 -2.247823373e+00 -1.619651228e+00 -1.208711943e+00 2.94 -2.190797573e+00 -1.571542623e+00 -1.188299131e+00 2.96 -2.134185834e+00 -1.523917604e+00 -1.167657808e+00 2.98 -2.078035564e+00 -1.476827496e+00 -1.146820551e+00 3.00 -2.022391178e+00 -1.430320125e+00 -1.125819301e+00 3.02 -1.964672338e+00 -1.383175041e+00 -1.103149550e+00 3.04 -1.902532970e+00 -1.334267570e+00 -1.077441563e+00 3.06 -1.836367480e+00 -1.283782574e+00 -1.048923447e+00 3.08 -1.766569638e+00 -1.231906152e+00 -1.017824469e+00 3.10 -1.693532484e+00 -1.178825690e+00 -9.843745880e-01 3.12 -1.617648435e+00 -1.124729962e+00 -9.488043400e-01 3.14 -1.539309153e+00 -1.069809708e+00 -9.113448108e-01 3.16 -1.458905438e+00 -1.014257845e+00 -8.722274542e-01 3.18 -1.376827493e+00 -9.582700739e-01 -8.316840441e-01 3.20 -1.293464710e+00 -9.020453205e-01 -7.899462679e-01 3.22 -1.209206098e+00 -8.457861752e-01 -7.472455886e-01 3.24 -1.124440711e+00 -7.896992665e-01 -7.038128387e-01 3.26 -1.039558447e+00 -7.339955513e-01 -6.598777452e-01 3.28 -9.549515285e-01 -6.788902076e-01 -6.156686057e-01 3.30 -8.710168313e-01 -6.246022145e-01 -5.714116116e-01 3.32 -7.881595461e-01 -5.713532298e-01 -5.273304984e-01 3.34 -7.067988108e-01 -5.193659811e-01 -4.836459425e-01 3.36 -6.273758093e-01 -4.688617762e-01 -4.405751169e-01 3.38 -5.503643040e-01 -4.200573224e-01 -3.983313064e-01 3.40 -4.762829325e-01 -3.731610639e-01 -3.571235587e-01 3.42 -4.057055845e-01 -3.283692989e-01 -3.171565210e-01 3.44 -3.392627462e-01 -2.858625483e-01 -2.786304589e-01 3.46 -2.776225759e-01 -2.458027989e-01 -2.417414340e-01 3.48 -2.214414851e-01 -2.083317608e-01 -2.066820297e-01 3.50 -1.712848138e-01 -1.735706087e-01 -1.736427740e-01 3.52 -1.275390944e-01 -1.416211622e-01 -1.428152166e-01 3.54 -9.035373988e-02 -1.125686638e-01 -1.143980952e-01 3.56 -5.964308919e-02 -8.648741158e-02 -8.860743553e-02 3.58 -3.516642313e-02 -6.345389589e-02 -6.568776695e-02 3.60 -1.681411640e-02 -4.357764868e-02 -4.590835948e-02 3.62 -5.003659823e-03 -2.704483107e-02 -2.952010946e-02 3.64 6.301988703e-05 -1.406931290e-02 -1.668721879e-02 3.66 0.000000000e+00 -4.791377595e-03 -6.776511856e-03 3.68 0.000000000e+00 5.869775910e-05 -5.788672633e-04 3.70 0.000000000e+00 -2.695732864e-40 -4.235164736e-22 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 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