# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1992--Ackland-G-J--Ti # implementation = 1992--Ackland-G-J--Ti--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 Ti Ti 0.02 4.367544468e+13 0.04 1.867544468e+13 0.06 1.034211135e+13 0.08 6.175444683e+12 0.10 2.191983202e+12 0.12 3.226613824e+01 0.14 3.151099309e+01 0.16 3.076612665e+01 0.18 3.003147158e+01 0.20 2.930696056e+01 0.22 2.859252628e+01 0.24 2.788810141e+01 0.26 2.719361864e+01 0.28 2.650901063e+01 0.30 2.583421009e+01 0.32 2.516914967e+01 0.34 2.451376206e+01 0.36 2.386797994e+01 0.38 2.323173599e+01 0.40 2.260496288e+01 0.42 2.198759330e+01 0.44 2.137955992e+01 0.46 2.078079542e+01 0.48 2.019123249e+01 0.50 1.961080379e+01 0.52 1.903944200e+01 0.54 1.847707981e+01 0.56 1.792364990e+01 0.58 1.737908493e+01 0.60 1.684331758e+01 0.62 1.631628054e+01 0.64 1.579790649e+01 0.66 1.528812808e+01 0.68 1.478687802e+01 0.70 1.429408896e+01 0.72 1.380969360e+01 0.74 1.333362459e+01 0.76 1.286581463e+01 0.78 1.240619639e+01 0.80 1.195470253e+01 0.82 1.151126575e+01 0.84 1.107581870e+01 0.86 1.064829408e+01 0.88 1.022862455e+01 0.90 9.816742794e+00 0.92 9.412581478e+00 0.94 9.016073280e+00 0.96 8.627150876e+00 0.98 8.245746937e+00 1.00 7.871794140e+00 1.02 7.505225157e+00 1.04 7.145972661e+00 1.06 6.793969326e+00 1.08 6.449147825e+00 1.10 6.111440830e+00 1.12 5.780781015e+00 1.14 5.457101050e+00 1.16 5.140333607e+00 1.18 4.830411359e+00 1.20 4.527266977e+00 1.22 4.230833131e+00 1.24 3.941042493e+00 1.26 3.657827732e+00 1.28 3.381121518e+00 1.30 3.110856522e+00 1.32 2.846965412e+00 1.34 2.589380858e+00 1.36 2.338035527e+00 1.38 2.092862089e+00 1.40 1.853793211e+00 1.42 1.620761561e+00 1.44 1.393699805e+00 1.46 1.172540610e+00 1.48 9.572166418e-01 1.50 7.476605668e-01 1.52 5.438050499e-01 1.54 3.455827557e-01 1.56 1.529263484e-01 1.58 -3.423150811e-02 1.60 -2.159581508e-01 1.62 -3.923209171e-01 1.64 -5.633871448e-01 1.66 -7.292241724e-01 1.68 -8.898993393e-01 1.70 -1.045479985e+00 1.72 -1.196033450e+00 1.74 -1.341627075e+00 1.76 -1.482328202e+00 1.78 -1.618204174e+00 1.80 -1.749322334e+00 1.82 -1.875750025e+00 1.84 -1.997554592e+00 1.86 -2.114803381e+00 1.88 -2.227563739e+00 1.90 -2.335903012e+00 1.92 -2.439888549e+00 1.94 -2.539587698e+00 1.96 -2.635067811e+00 1.98 -2.726396237e+00 2.00 -2.813640329e+00 2.02 -2.896867440e+00 2.04 -2.976144924e+00 2.06 -3.051540137e+00 2.08 -3.123120435e+00 2.10 -3.190953177e+00 2.12 -3.255105721e+00 2.14 -3.315645427e+00 2.16 -3.372639659e+00 2.18 -3.426155778e+00 2.20 -3.476261150e+00 2.22 -3.523023142e+00 2.24 -3.566509120e+00 2.26 -3.606786456e+00 2.28 -3.643922520e+00 2.30 -3.677984685e+00 2.32 -3.709040327e+00 2.34 -3.737156823e+00 2.36 -3.762401552e+00 2.38 -3.784841896e+00 2.40 -3.804545237e+00 2.42 -3.821578963e+00 2.44 -3.836010460e+00 2.46 -3.847907121e+00 2.48 -3.857336339e+00 2.50 -3.864365510e+00 2.52 -3.869062032e+00 2.54 -3.871493310e+00 2.56 -3.871726747e+00 2.58 -3.869829753e+00 2.60 -3.865869740e+00 2.62 -3.859914123e+00 2.64 -3.852030322e+00 2.66 -3.842285760e+00 2.68 -3.830747866e+00 2.70 -3.817484071e+00 2.72 -3.802561812e+00 2.74 -3.786048530e+00 2.76 -3.768011672e+00 2.78 -3.748518689e+00 2.80 -3.727637039e+00 2.82 -3.705434185e+00 2.84 -3.681977596e+00 2.86 -3.657334747e+00 2.88 -3.631573122e+00 2.90 -3.604760211e+00 2.92 -3.576963509e+00 2.94 -3.548250523e+00 2.96 -3.518688382e+00 2.98 -3.488333457e+00 3.00 -3.457230175e+00 3.02 -3.425422355e+00 3.04 -3.392953821e+00 3.06 -3.359868412e+00 3.08 -3.326209976e+00 3.10 -3.292022375e+00 3.12 -3.257349483e+00 3.14 -3.222235191e+00 3.16 -3.186723401e+00 3.18 -3.150858033e+00 3.20 -3.114683024e+00 3.22 -3.078242328e+00 3.24 -3.041579918e+00 3.26 -3.004739791e+00 3.28 -2.967765958e+00 3.30 -2.930702459e+00 3.32 -2.893593361e+00 3.34 -2.856482746e+00 3.36 -2.819404480e+00 3.38 -2.782359937e+00 3.40 -2.745344078e+00 3.42 -2.708351899e+00 3.44 -2.671378438e+00 3.46 -2.634418774e+00 3.48 -2.597468026e+00 3.50 -2.560521359e+00 3.52 -2.523573989e+00 3.54 -2.486621191e+00 3.56 -2.449658294e+00 3.58 -2.412680694e+00 3.60 -2.375683857e+00 3.62 -2.338663322e+00 3.64 -2.301614710e+00 3.66 -2.264533731e+00 3.68 -2.227416193e+00 3.70 -2.190258008e+00 3.72 -2.153055206e+00 3.74 -2.115803944e+00 3.76 -2.078500517e+00 3.78 -2.041141374e+00 3.80 -2.003723128e+00 3.82 -1.966242576e+00 3.84 -1.928696713e+00 3.86 -1.891082761e+00 3.88 -1.853398207e+00 3.90 -1.815640852e+00 3.92 -1.777808737e+00 3.94 -1.739900215e+00 3.96 -1.701914054e+00 3.98 -1.663850177e+00 4.00 -1.625713050e+00 4.02 -1.587509572e+00 4.04 -1.549247708e+00 4.06 -1.510935958e+00 4.08 -1.472582976e+00 4.10 -1.434199613e+00 4.12 -1.395796503e+00 4.14 -1.357385619e+00 4.16 -1.318981736e+00 4.18 -1.280597866e+00 4.20 -1.242253953e+00 4.22 -1.203964805e+00 4.24 -1.165757105e+00 4.26 -1.127647850e+00 4.28 -1.089673352e+00 4.30 -1.051853648e+00 4.32 -1.014233705e+00 4.34 -9.768517954e-01 4.36 -9.397402027e-01 4.38 -9.029944321e-01 4.40 -8.666025770e-01 4.42 -8.306074915e-01 4.44 -7.951221575e-01 4.46 -7.594710113e-01 4.48 -7.236884337e-01 4.50 -6.891744948e-01 4.52 -6.568993079e-01 4.54 -6.280524603e-01 4.56 -6.013992930e-01 4.58 -5.734390095e-01 4.60 -5.420646109e-01 4.62 -5.062803544e-01 4.64 -4.659093712e-01 4.66 -4.211348158e-01 4.68 -3.740284074e-01 4.70 -3.271350243e-01 4.72 -2.821766363e-01 4.74 -2.402457290e-01 4.76 -2.019676162e-01 4.78 -1.676300703e-01 4.80 -1.372846992e-01 4.82 -1.108247297e-01 4.84 -8.804332894e-02 4.86 -6.867609688e-02 4.88 -5.243089807e-02 4.90 -3.900776697e-02 4.92 -2.811122024e-02 4.94 -1.945693959e-02 4.96 -1.277445114e-02 4.98 -7.807122139e-03 5.00 -4.310521699e-03 5.02 -2.047870313e-03 5.04 -7.602091622e-04 5.06 -1.715502684e-04 5.08 -7.845801171e-06 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00