# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--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 Cu Cu Cu 0.02 1.312458482e+01 -2.598190104e+00 1.617529731e+01 0.04 1.325452070e+01 -1.900440147e+00 1.595915837e+01 0.06 1.337053114e+01 -1.239308221e+00 1.574313685e+01 0.08 1.347292273e+01 -6.139880702e-01 1.552723769e+01 0.10 1.356200208e+01 -2.367344248e-02 1.531146592e+01 0.12 1.363807581e+01 5.324419161e-01 1.509582666e+01 0.14 1.370145053e+01 1.055164259e+00 1.488032515e+01 0.16 1.375243284e+01 1.545299840e+00 1.466496672e+01 0.18 1.379132935e+01 2.003654913e+00 1.444975682e+01 0.20 1.381844668e+01 2.431035730e+00 1.423470100e+01 0.22 1.383409143e+01 2.828248547e+00 1.401980494e+01 0.24 1.383857022e+01 3.196099615e+00 1.380507441e+01 0.26 1.383218965e+01 3.535395190e+00 1.359051534e+01 0.28 1.381525633e+01 3.846941541e+00 1.337613375e+01 0.30 1.378807688e+01 4.131547037e+00 1.316193582e+01 0.32 1.375095790e+01 4.390001471e+00 1.294792782e+01 0.34 1.370420601e+01 4.623265775e+00 1.273411620e+01 0.36 1.364812780e+01 4.832341229e+00 1.252050753e+01 0.38 1.358302990e+01 5.018062079e+00 1.230710852e+01 0.40 1.350921892e+01 5.181230761e+00 1.209392589e+01 0.42 1.342700145e+01 5.322654071e+00 1.188096622e+01 0.44 1.333668412e+01 5.443138525e+00 1.166821000e+01 0.46 1.323857352e+01 5.543490636e+00 1.145609704e+01 0.48 1.313297628e+01 5.624516960e+00 1.124456302e+01 0.50 1.302019901e+01 5.687023677e+00 1.103322754e+01 0.52 1.290054830e+01 5.731813954e+00 1.082215221e+01 0.54 1.277433077e+01 5.759688042e+00 1.061134030e+01 0.56 1.264185304e+01 5.771446231e+00 1.040080028e+01 0.58 1.250342170e+01 5.767888797e+00 1.019054071e+01 0.60 1.235934338e+01 5.749816014e+00 9.980570372e+00 0.62 1.220992468e+01 5.718028167e+00 9.770898224e+00 0.64 1.205547221e+01 5.673325619e+00 9.561533467e+00 0.66 1.189629257e+01 5.616508403e+00 9.352485532e+00 0.68 1.173269239e+01 5.548390112e+00 9.143764090e+00 0.70 1.156497827e+01 5.469800242e+00 8.935379066e+00 0.72 1.139345681e+01 5.381570470e+00 8.727340640e+00 0.74 1.121843464e+01 5.284532269e+00 8.519659269e+00 0.76 1.104021835e+01 5.179517123e+00 8.312345692e+00 0.78 1.085911456e+01 5.067356493e+00 8.105410925e+00 0.80 1.067542988e+01 4.948881918e+00 7.898866299e+00 0.82 1.048947092e+01 4.824925287e+00 7.692723459e+00 0.84 1.030154429e+01 4.696291754e+00 7.486994381e+00 0.86 1.011195660e+01 4.563726694e+00 7.281691385e+00 0.88 9.921014452e+00 4.427961551e+00 7.076827148e+00 0.90 9.729024464e+00 4.289729315e+00 6.872414732e+00 0.92 9.536293243e+00 4.149762721e+00 6.668467583e+00 0.94 9.343127400e+00 4.008794502e+00 6.464999547e+00 0.96 9.149833543e+00 3.867557860e+00 6.262024906e+00 0.98 8.956718284e+00 3.726783795e+00 6.059558389e+00 1.00 8.764088231e+00 3.587240524e+00 5.857615198e+00 1.02 8.572249995e+00 3.449859781e+00 5.656211022e+00 1.04 8.381510185e+00 3.315626462e+00 5.455362071e+00 1.06 8.191982864e+00 3.185237898e+00 5.255085107e+00 1.08 8.003256943e+00 3.058237452e+00 5.055397447e+00 1.10 7.815288903e+00 2.934329718e+00 4.856317005e+00 1.12 7.628066941e+00 2.813254510e+00 4.657862333e+00 1.14 7.441579255e+00 2.694755309e+00 4.460052650e+00 1.16 7.255814040e+00 2.578548357e+00 4.262907876e+00 1.18 7.070759494e+00 2.464207887e+00 4.066448671e+00 1.20 6.886404835e+00 2.351237786e+00 3.870696482e+00 1.22 6.702751187e+00 2.239642498e+00 3.675673597e+00 1.24 6.519795284e+00 2.129431599e+00 3.481403160e+00 1.26 6.337531227e+00 2.020539180e+00 3.287909246e+00 1.28 6.155953113e+00 1.912899364e+00 3.095216928e+00 1.30 5.975055041e+00 1.806446377e+00 2.903352328e+00 1.32 5.794831110e+00 1.701115409e+00 2.712342687e+00 1.34 5.615275418e+00 1.596886190e+00 2.522216438e+00 1.36 5.436382063e+00 1.493685171e+00 2.333003286e+00 1.38 5.258145145e+00 1.391433038e+00 2.144734324e+00 1.40 5.080558761e+00 1.290124330e+00 1.957441911e+00 1.42 4.903617011e+00 1.189753594e+00 1.771163982e+00 1.44 4.727313992e+00 1.090315377e+00 1.585910479e+00 1.46 4.551643804e+00 9.918042169e-01 1.401707573e+00 1.48 4.376600545e+00 8.942144641e-01 1.219975718e+00 1.50 4.202178313e+00 7.975458941e-01 1.041389023e+00 1.52 4.028371208e+00 7.018051837e-01 8.642326288e-01 1.54 3.855173327e+00 6.070179001e-01 6.881905729e-01 1.56 3.682578769e+00 5.132101148e-01 5.134479955e-01 1.58 3.510581632e+00 4.204079658e-01 3.400413848e-01 1.60 3.339176016e+00 3.286375952e-01 1.680278419e-01 1.62 3.168356018e+00 2.379251041e-01 -2.532675843e-03 1.64 2.998115737e+00 1.482963532e-01 -1.715762579e-01 1.66 2.828449273e+00 5.976130245e-02 -3.390346404e-01 1.68 2.659350722e+00 -2.770990100e-02 -5.048347339e-01 1.70 2.490814185e+00 -1.141559764e-01 -6.688981193e-01 1.72 2.322833760e+00 -1.996154524e-01 -8.311405194e-01 1.74 2.155403544e+00 -2.841269043e-01 -9.914710128e-01 1.76 1.988517637e+00 -3.677290509e-01 -1.149790287e+00 1.78 1.822170137e+00 -4.504547324e-01 -1.306039962e+00 1.80 1.656355139e+00 -5.327579519e-01 -1.457180199e+00 1.82 1.491066742e+00 -6.159787614e-01 -1.594609709e+00 1.84 1.326299047e+00 -7.003847292e-01 -1.718455742e+00 1.86 1.162046159e+00 -7.861635309e-01 -1.829609445e+00 1.88 9.983021784e-01 -8.734380966e-01 -1.928908838e+00 1.90 8.350612091e-01 -9.622852580e-01 -2.017147418e+00 1.92 6.723173533e-01 -1.052747236e+00 -2.095075238e+00 1.94 5.100645448e-01 -1.144839993e+00 -2.163401171e+00 1.96 3.482965693e-01 -1.238559052e+00 -2.222793728e+00 1.98 1.870077811e-01 -1.333878851e+00 -2.273883209e+00 2.00 2.619924878e-02 -1.429857344e+00 -2.317263196e+00 2.02 -1.341288575e-01 -1.521662865e+00 -2.353492031e+00 2.04 -2.899912486e-01 -1.608066030e+00 -2.383094442e+00 2.06 -4.365010821e-01 -1.688398423e+00 -2.406563576e+00 2.08 -5.740531562e-01 -1.762483289e+00 -2.424362017e+00 2.10 -7.030100038e-01 -1.830233333e+00 -2.436923446e+00 2.12 -8.237134564e-01 -1.891629662e+00 -2.444655220e+00 2.14 -9.364868755e-01 -1.946702147e+00 -2.447937032e+00 2.16 -1.041637606e+00 -1.995522937e+00 -2.447122343e+00 2.18 -1.139458932e+00 -2.038199804e+00 -2.442552976e+00 2.20 -1.230231862e+00 -2.074872401e+00 -2.434546310e+00 2.22 -1.314226748e+00 -2.105731624e+00 -2.423389115e+00 2.24 -1.391704824e+00 -2.131010530e+00 -2.409380133e+00 2.26 -1.462919595e+00 -2.150960788e+00 -2.392681986e+00 2.28 -1.528118138e+00 -2.165849290e+00 -2.373367341e+00 2.30 -1.587559281e+00 -2.175961584e+00 -2.351607364e+00 2.32 -1.641525675e+00 -2.181602336e+00 -2.327504337e+00 2.34 -1.690300092e+00 -2.183086735e+00 -2.301146380e+00 2.36 -1.734164276e+00 -2.180737750e+00 -2.272852414e+00 2.38 -1.773400024e+00 -2.174879912e+00 -2.243097809e+00 2.40 -1.808290287e+00 -2.165845218e+00 -2.212230847e+00 2.42 -1.839120126e+00 -2.153978853e+00 -2.180346158e+00 2.44 -1.866177381e+00 -2.139629709e+00 -2.147516650e+00 2.46 -1.889753606e+00 -2.123146247e+00 -2.113835364e+00 2.48 -1.910144717e+00 -2.104877341e+00 -2.079431273e+00 2.50 -1.927651337e+00 -2.085174312e+00 -2.044414277e+00 2.52 -1.942579292e+00 -2.064384874e+00 -2.008888421e+00 2.54 -1.955225158e+00 -2.042750603e+00 -1.972941195e+00 2.56 -1.965738974e+00 -2.020339864e+00 -1.936654318e+00 2.58 -1.974175748e+00 -1.997180296e+00 -1.900109180e+00 2.60 -1.980586212e+00 -1.973295935e+00 -1.863383580e+00 2.62 -1.985017932e+00 -1.948707564e+00 -1.826537966e+00 2.64 -1.987515191e+00 -1.923432700e+00 -1.789631231e+00 2.66 -1.988118807e+00 -1.897485534e+00 -1.752724054e+00 2.68 -1.986865902e+00 -1.870876871e+00 -1.715875336e+00 2.70 -1.983789594e+00 -1.843614102e+00 -1.679136132e+00 2.72 -1.978918625e+00 -1.815700961e+00 -1.642536779e+00 2.74 -1.972276797e+00 -1.787137292e+00 -1.606119171e+00 2.76 -1.963882766e+00 -1.757919487e+00 -1.569925956e+00 2.78 -1.953749270e+00 -1.728040131e+00 -1.533998752e+00 2.80 -1.941901696e+00 -1.697503967e+00 -1.498377590e+00 2.82 -1.928426903e+00 -1.666366690e+00 -1.463064773e+00 2.84 -1.913429499e+00 -1.634694593e+00 -1.428074563e+00 2.86 -1.897019256e+00 -1.602568387e+00 -1.393447269e+00 2.88 -1.879311887e+00 -1.570097361e+00 -1.359220640e+00 2.90 -1.860429633e+00 -1.537393796e+00 -1.325429772e+00 2.92 -1.840501784e+00 -1.504569748e+00 -1.292107046e+00 2.94 -1.819665106e+00 -1.471736189e+00 -1.259281601e+00 2.96 -1.798064168e+00 -1.439005538e+00 -1.226836793e+00 2.98 -1.775851590e+00 -1.406491242e+00 -1.194734389e+00 3.00 -1.753188165e+00 -1.374307810e+00 -1.163057525e+00 3.02 -1.730242860e+00 -1.342570984e+00 -1.131876581e+00 3.04 -1.707190364e+00 -1.311397029e+00 -1.101250661e+00 3.06 -1.684126592e+00 -1.280871305e+00 -1.071228781e+00 3.08 -1.661043459e+00 -1.251039488e+00 -1.041851112e+00 3.10 -1.637922997e+00 -1.221942705e+00 -1.013149933e+00 3.12 -1.614744121e+00 -1.193618147e+00 -9.851505857e-01 3.14 -1.591482646e+00 -1.166103351e+00 -9.579134328e-01 3.16 -1.568111359e+00 -1.139436248e+00 -9.316097934e-01 3.18 -1.544600076e+00 -1.113631268e+00 -9.060772583e-01 3.20 -1.520915692e+00 -1.088642552e+00 -8.811418018e-01 3.22 -1.497022211e+00 -1.064411642e+00 -8.566659736e-01 3.24 -1.472880762e+00 -1.040878863e+00 -8.325433236e-01 3.26 -1.448449597e+00 -1.017983258e+00 -8.086934853e-01 3.28 -1.423684122e+00 -9.956626147e-01 -7.850580021e-01 3.30 -1.398546144e+00 -9.738571646e-01 -7.615965654e-01 3.32 -1.373068435e+00 -9.525320802e-01 -7.382838738e-01 3.34 -1.347319206e+00 -9.316634064e-01 -7.151068435e-01 3.36 -1.321369425e+00 -9.112347950e-01 -6.920622136e-01 3.38 -1.295292877e+00 -8.912311720e-01 -6.691545593e-01 3.40 -1.269166112e+00 -8.716385799e-01 -6.463944705e-01 3.42 -1.243068445e+00 -8.524442631e-01 -6.237971420e-01 3.44 -1.217081925e+00 -8.336366873e-01 -6.013810657e-01 3.46 -1.191291288e+00 -8.151883087e-01 -5.790898515e-01 3.48 -1.165783893e+00 -7.970760260e-01 -5.569210938e-01 3.50 -1.140649624e+00 -7.793070352e-01 -5.349851802e-01 3.52 -1.115980767e+00 -7.619172917e-01 -5.133735154e-01 3.54 -1.091872241e+00 -7.449478518e-01 -4.921608130e-01 3.56 -1.068363373e+00 -7.283856577e-01 -4.714073447e-01 3.58 -1.045354075e+00 -7.122005987e-01 -4.511609098e-01 3.60 -1.022715828e+00 -6.963591767e-01 -4.314585072e-01 3.62 -1.000315378e+00 -6.808235000e-01 -4.123279267e-01 3.64 -9.780144738e-01 -6.655516180e-01 -3.937890018e-01 3.66 -9.556699367e-01 -6.504979673e-01 -3.758548256e-01 3.68 -9.331336625e-01 -6.356137184e-01 -3.585327473e-01 3.70 -9.102525361e-01 -6.208470661e-01 -3.418252509e-01 3.72 -8.868682622e-01 -6.061434843e-01 -3.257307716e-01 3.74 -8.628171013e-01 -5.914459033e-01 -3.102443132e-01 3.76 -8.379295327e-01 -5.766949114e-01 -2.953580848e-01 3.78 -8.120301525e-01 -5.618290567e-01 -2.810619816e-01 3.80 -7.849451964e-01 -5.467887141e-01 -2.673440294e-01 3.82 -7.566918235e-01 -5.316744178e-01 -2.541907823e-01 3.84 -7.274706613e-01 -5.165494437e-01 -2.415876100e-01 3.86 -6.974941905e-01 -5.013538035e-01 -2.295190236e-01 3.88 -6.669846533e-01 -4.860200457e-01 -2.179688832e-01 3.90 -6.361743422e-01 -4.704834665e-01 -2.069206123e-01 3.92 -6.053060317e-01 -4.546928564e-01 -1.963573812e-01 3.94 -5.746331984e-01 -4.386210289e-01 -1.862622233e-01 3.96 -5.444200138e-01 -4.222745655e-01 -1.766182022e-01 3.98 -5.149410723e-01 -4.057021334e-01 -1.674084687e-01 4.00 -4.864809072e-01 -3.890009120e-01 -1.586163751e-01 4.02 -4.593332064e-01 -3.723205652e-01 -1.502255352e-01 4.04 -4.337719106e-01 -3.558324875e-01 -1.422198743e-01 4.06 -4.099517503e-01 -3.396854934e-01 -1.345836909e-01 4.08 -3.879373951e-01 -3.241144522e-01 -1.273016671e-01 4.10 -3.676990585e-01 -3.092597268e-01 -1.203589165e-01 4.12 -3.491855067e-01 -2.952036683e-01 -1.137409964e-01 4.14 -3.323277715e-01 -2.819835132e-01 -1.074339143e-01 4.16 -3.170429949e-01 -2.696192897e-01 -1.014241525e-01 4.18 -3.032375254e-01 -2.581174857e-01 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