# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Agrawal-A-Mishra-R-Ward-L-et-al--Be # implementation = 2013--Agrawal-A--Be--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 Be Be 0.02 -1.131736509e+14 0.04 -9.359528127e+13 0.06 -7.740384031e+13 0.08 -6.401341173e+13 0.10 -5.293943891e+13 0.12 -4.378119028e+13 0.14 6.848534414e+05 0.16 5.663803121e+05 0.18 4.684022497e+05 0.20 3.873737428e+05 0.22 3.203626304e+05 0.24 2.649439959e+05 0.26 2.191124170e+05 0.28 1.812093966e+05 0.30 1.498633464e+05 0.32 1.239399540e+05 0.34 1.025011353e+05 0.36 8.477108878e+04 0.38 7.010822132e+04 0.40 5.798193131e+04 0.42 4.795340761e+04 0.44 3.965975053e+04 0.46 3.280083965e+04 0.48 2.712847340e+04 0.50 2.243738741e+04 0.52 1.855782672e+04 0.54 1.534940285e+04 0.56 1.269601359e+04 0.58 1.050164165e+04 0.60 8.686880119e+03 0.62 7.186058927e+03 0.64 5.944868497e+03 0.66 4.918394457e+03 0.68 4.069492324e+03 0.70 3.367443361e+03 0.72 2.786842971e+03 0.74 2.306681383e+03 0.76 1.909583379e+03 0.78 1.581179538e+03 0.80 1.309586250e+03 0.82 1.084975696e+03 0.84 8.992201995e+02 0.86 7.455981216e+02 0.88 6.185506195e+02 0.90 5.134804943e+02 0.92 4.265858311e+02 0.94 3.547224210e+02 0.96 2.952899820e+02 0.98 2.461380632e+02 1.00 2.054882270e+02 1.02 1.718696934e+02 1.04 1.440661172e+02 1.06 1.210715726e+02 1.08 1.020541515e+02 1.10 8.632586043e+01 1.12 7.331772364e+01 1.14 6.255919403e+01 1.16 5.366112570e+01 1.18 4.630169200e+01 1.20 4.021473980e+01 1.22 3.518015833e+01 1.24 3.101591416e+01 1.26 2.757146408e+01 1.28 2.472230749e+01 1.30 2.236548126e+01 1.32 2.041583381e+01 1.34 1.879023675e+01 1.36 1.729643764e+01 1.38 1.588397317e+01 1.40 1.454898192e+01 1.42 1.328777314e+01 1.44 1.209681957e+01 1.46 1.097275050e+01 1.48 9.912345127e+00 1.50 8.912526220e+00 1.52 7.970353995e+00 1.54 7.083020289e+00 1.56 6.247842945e+00 1.58 5.462260450e+00 1.60 4.723826797e+00 1.62 4.030206562e+00 1.64 3.379170205e+00 1.66 2.768589578e+00 1.68 2.196433661e+00 1.70 1.660764513e+00 1.72 1.159733472e+00 1.74 6.915776197e-01 1.76 2.546165819e-01 1.78 -1.527502781e-01 1.80 -5.320461180e-01 1.82 -8.847181362e-01 1.84 -1.212138019e+00 1.86 -1.515600825e+00 1.88 -1.796321514e+00 1.90 -2.055427942e+00 1.92 -2.293948447e+00 1.94 -2.512791175e+00 1.96 -2.712710760e+00 1.98 -2.894255538e+00 2.00 -3.057684926e+00 2.02 -3.202840919e+00 2.04 -3.328949141e+00 2.06 -3.434311855e+00 2.08 -3.515835652e+00 2.10 -3.568304285e+00 2.12 -3.583267849e+00 2.14 -3.547347940e+00 2.16 -3.439619020e+00 2.18 -3.227610233e+00 2.20 -2.861466194e+00 2.22 -2.262479008e+00 2.24 -1.305703531e+00 2.26 2.283683168e-01 2.28 2.610550711e+00 2.30 3.117663795e+02 2.32 2.812119413e+02 2.34 -1.165113886e+03 2.36 -2.634644505e+03 2.38 -2.251915245e+03 2.40 2.049085736e+02 2.42 4.203518681e+03 2.44 8.663201500e+03 2.46 1.291204754e+04 2.48 1.668048448e+04 2.50 1.989826986e+04 2.52 2.258743665e+04 2.54 2.480725556e+04 2.56 2.662704135e+04 2.58 2.811360085e+04 2.60 2.932618125e+04 2.62 3.031510700e+04 2.64 3.112210798e+04 2.66 3.178132087e+04 2.68 3.232046632e+04 2.70 3.276197618e+04 2.72 3.312398288e+04 2.74 3.342114950e+04 2.76 3.366534895e+04 2.78 3.386621210e+04 2.80 3.403156671e+04 2.82 3.416778794e+04 2.84 3.428007814e+04 2.86 3.437269027e+04 2.88 3.444910697e+04 2.90 3.451218422e+04 2.92 3.456426713e+04 2.94 3.460728349e+04 2.96 3.464281955e+04 2.98 3.467218157e+04 3.00 3.469644602e+04 3.02 3.471650051e+04 3.04 3.473307731e+04 3.06 3.474678073e+04 3.08 3.475810972e+04 3.10 3.476747631e+04 3.12 3.477522086e+04 3.14 3.478162457e+04 3.16 3.478691980e+04 3.18 3.479129860e+04 3.20 3.479491970e+04 3.22 3.479791430e+04 3.24 3.480039088e+04 3.26 3.480243912e+04 3.28 3.480413315e+04 3.30 3.480553429e+04 3.32 3.480669322e+04 3.34 3.480765186e+04 3.36 3.480844487e+04 3.38 3.480910091e+04 3.40 3.480964367e+04 3.42 3.481009277e+04 3.44 3.481046439e+04 3.46 3.481077196e+04 3.48 3.481102655e+04 3.50 3.481123733e+04 3.52 3.481141187e+04 3.54 3.481155646e+04 3.56 3.481167626e+04 3.58 3.481177557e+04 3.60 3.481185794e+04 3.62 3.481192629e+04 3.64 3.481198305e+04 3.66 3.481203023e+04 3.68 3.481206947e+04 3.70 3.481210216e+04 3.72 3.481212943e+04 3.74 3.481215222e+04 3.76 3.481217130e+04 3.78 3.481218730e+04 3.80 3.481220077e+04 3.82 3.481221215e+04 3.84 3.481222178e+04 3.86 3.481222998e+04 3.88 3.481223698e+04 3.90 3.481224300e+04 3.92 3.481224821e+04 3.94 3.481225274e+04 3.96 3.481225671e+04 3.98 3.481226022e+04 4.00 3.481226334e+04 4.02 3.481226614e+04 4.04 3.481226867e+04 4.06 3.481227098e+04 4.08 3.481227310e+04 4.10 3.481227507e+04 4.12 3.481227690e+04 4.14 3.481227863e+04 4.16 3.481228026e+04 4.18 3.481228182e+04 4.20 3.481228330e+04 4.22 3.481228472e+04 4.24 3.481228610e+04 4.26 3.481228742e+04 4.28 3.481228871e+04 4.30 3.481228996e+04 4.32 3.481229117e+04 4.34 3.481229235e+04 4.36 3.481229351e+04 4.38 3.481229463e+04 4.40 3.481229573e+04 4.42 3.481229680e+04 4.44 3.481229784e+04 4.46 3.481229886e+04 4.48 3.481229985e+04 4.50 3.481230082e+04 4.52 3.481230176e+04 4.54 3.481230267e+04 4.56 3.481230356e+04 4.58 3.481230441e+04 4.60 3.481230524e+04 4.62 3.481230604e+04 4.64 3.481230681e+04 4.66 3.481230755e+04 4.68 3.481230825e+04 4.70 3.481230892e+04 4.72 3.481230956e+04 4.74 3.481231016e+04 4.76 3.481231073e+04 4.78 3.481231126e+04 4.80 3.481231175e+04 4.82 3.481231220e+04 4.84 3.481231261e+04 4.86 3.481231297e+04 4.88 3.481231329e+04 4.90 3.481231357e+04 4.92 3.481231380e+04 4.94 3.481231398e+04 4.96 3.481231411e+04 4.98 3.481231419e+04 5.00 3.481231422e+04 5.02 3.481231422e+04 5.04 3.481231422e+04 5.06 3.481231422e+04 5.08 3.481231422e+04 5.10 3.481231422e+04 5.12 3.481231422e+04 5.14 3.481231422e+04 5.16 3.481231422e+04 5.18 3.481231422e+04 5.20 3.481231422e+04 5.22 3.481231422e+04 5.24 3.481231422e+04 5.26 3.481231422e+04 5.28 3.481231422e+04 5.30 3.481231422e+04 5.32 3.481231422e+04 5.34 3.481231422e+04 5.36 3.481231422e+04 5.38 3.481231422e+04 5.40 3.481231422e+04 5.42 3.481231422e+04 5.44 3.481231422e+04 5.46 3.481231422e+04 5.48 3.481231422e+04 5.50 3.481231422e+04 5.52 3.481231422e+04 5.54 3.481231422e+04 5.56 3.481231422e+04 5.58 3.481231422e+04 5.60 3.481231422e+04 5.62 3.481231422e+04 5.64 3.481231422e+04 5.66 3.481231422e+04 5.68 3.481231422e+04 5.70 3.481231422e+04 5.72 3.481231422e+04 5.74 3.481231422e+04 5.76 3.481231422e+04 5.78 3.481231422e+04 5.80 3.481231422e+04 5.82 3.481231422e+04 5.84 3.481231422e+04 5.86 3.481231422e+04 5.88 3.481231422e+04 5.90 3.481231422e+04 5.92 3.481231422e+04 5.94 3.481231422e+04 5.96 3.481231422e+04 5.98 3.481231422e+04 6.00 3.481231422e+04 6.02 3.481231422e+04 6.04 3.481231422e+04 6.06 3.481231422e+04 6.08 3.481231422e+04 6.10 3.481231422e+04 6.12 3.481231422e+04 6.14 3.481231422e+04 6.16 3.481231422e+04 6.18 3.481231422e+04 6.20 3.481231422e+04 6.22 3.481231422e+04 6.24 3.481231422e+04 6.26 3.481231422e+04 6.28 3.481231422e+04 6.30 3.481231422e+04 6.32 3.481231422e+04 6.34 3.481231422e+04 6.36 3.481231422e+04 6.38 3.481231422e+04 6.40 3.481231422e+04 6.42 3.481231422e+04 6.44 3.481231422e+04 6.46 3.481231422e+04 6.48 3.481231422e+04 6.50 3.481231422e+04 6.52 3.481231422e+04 6.54 3.481231422e+04 6.56 3.481231422e+04 6.58 3.481231422e+04 6.60 3.481231422e+04 6.62 3.481231422e+04 6.64 3.481231422e+04 6.66 3.481231422e+04 6.68 3.481231422e+04 6.70 3.481231422e+04 6.72 3.481231422e+04 6.74 3.481231422e+04 6.76 3.481231422e+04 6.78 3.481231422e+04 6.80 3.481231422e+04 6.82 3.481231422e+04 6.84 3.481231422e+04 6.86 3.481231422e+04 6.88 3.481231422e+04 6.90 3.481231422e+04 6.92 3.481231422e+04 6.94 3.481231422e+04 6.96 3.481231422e+04 6.98 3.481231422e+04 7.00 3.481231422e+04 7.02 3.481231422e+04 7.04 3.481231422e+04 7.06 3.481231422e+04 7.08 3.481231422e+04 7.10 3.481231422e+04 7.12 3.481231422e+04 7.14 3.481231422e+04 7.16 3.481231422e+04 7.18 3.481231422e+04 7.20 3.481231422e+04 7.22 3.481231422e+04 7.24 3.481231422e+04 7.26 3.481231422e+04 7.28 3.481231422e+04 7.30 3.481231422e+04 7.32 3.481231422e+04 7.34 3.481231422e+04 7.36 3.481231422e+04 7.38 3.481231422e+04 7.40 3.481231422e+04 7.42 3.481231422e+04 7.44 3.481231422e+04 7.46 3.481231422e+04 7.48 3.481231422e+04 7.50 3.481231422e+04 7.52 3.481231422e+04 7.54 3.481231422e+04 7.56 3.481231422e+04 7.58 3.481231422e+04 7.60 3.481231422e+04 7.62 3.481231422e+04 7.64 3.481231422e+04 7.66 3.481231422e+04 7.68 3.481231422e+04 7.70 3.481231422e+04 7.72 3.481231422e+04 7.74 3.481231422e+04 7.76 3.481231422e+04 7.78 3.481231422e+04 7.80 3.481231422e+04 7.82 3.481231422e+04 7.84 3.481231422e+04 7.86 3.481231422e+04 7.88 3.481231422e+04 7.90 3.481231422e+04 7.92 3.481231422e+04 7.94 3.481231422e+04 7.96 3.481231422e+04 7.98 3.481231422e+04 8.00 3.481231422e+04 8.02 3.481231422e+04 8.04 3.481231422e+04 8.06 3.481231422e+04 8.08 3.481231422e+04 8.10 3.481231422e+04 8.12 3.481231422e+04 8.14 3.481231422e+04 8.16 3.481231422e+04 8.18 3.481231422e+04 8.20 3.481231422e+04 8.22 3.481231422e+04 8.24 3.481231422e+04 8.26 3.481231422e+04 8.28 3.481231422e+04 8.30 3.481231422e+04 8.32 3.481231422e+04 8.34 3.481231422e+04 8.36 3.481231422e+04 8.38 3.481231422e+04 8.40 3.481231422e+04 8.42 3.481231422e+04 8.44 3.481231422e+04 8.46 3.481231422e+04 8.48 3.481231422e+04 8.50 3.481231422e+04 8.52 3.481231422e+04 8.54 3.481231422e+04 8.56 3.481231422e+04 8.58 3.481231422e+04 8.60 3.481231422e+04 8.62 3.481231422e+04 8.64 3.481231422e+04 8.66 3.481231422e+04 8.68 3.481231422e+04 8.70 3.481231422e+04 8.72 3.481231422e+04 8.74 3.481231422e+04 8.76 3.481231422e+04 8.78 3.481231422e+04 8.80 3.481231422e+04 8.82 3.481231422e+04 8.84 3.481231422e+04 8.86 3.481231422e+04 8.88 3.481231422e+04 8.90 3.481231422e+04 8.92 3.481231422e+04 8.94 3.481231422e+04 8.96 3.481231422e+04 8.98 3.481231422e+04 9.00 3.481231422e+04 9.02 3.481231422e+04 9.04 3.481231422e+04 9.06 3.481231422e+04 9.08 3.481231422e+04 9.10 3.481231422e+04 9.12 3.481231422e+04 9.14 3.481231422e+04 9.16 3.481231422e+04 9.18 3.481231422e+04 9.20 3.481231422e+04 9.22 3.481231422e+04 9.24 3.481231422e+04 9.26 3.481231422e+04 9.28 3.481231422e+04 9.30 3.481231422e+04 9.32 3.481231422e+04 9.34 3.481231422e+04 9.36 3.481231422e+04 9.38 3.481231422e+04 9.40 3.481231422e+04 9.42 3.481231422e+04 9.44 3.481231422e+04 9.46 3.481231422e+04 9.48 3.481231422e+04 9.50 3.481231422e+04 9.52 3.481231422e+04 9.54 3.481231422e+04 9.56 3.481231422e+04 9.58 3.481231422e+04 9.60 3.481231422e+04 9.62 3.481231422e+04 9.64 3.481231422e+04 9.66 3.481231422e+04 9.68 3.481231422e+04 9.70 3.481231422e+04 9.72 3.481231422e+04 9.74 3.481231422e+04 9.76 3.481231422e+04 9.78 3.481231422e+04 9.80 3.481231422e+04 9.82 3.481231422e+04 9.84 3.481231422e+04 9.86 3.481231422e+04 9.88 3.481231422e+04 9.90 3.481231422e+04 9.92 3.481231422e+04 9.94 3.481231422e+04 9.96 3.481231422e+04 9.98 3.481231422e+04 10.00 3.481231422e+04