# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Kim-Y-M-Lee-B-J-Baskes-M-I--Zr # implementation = 2006--Kim-Y-M--Zr--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 Zr Zr 0.02 2.818972940e+02 0.04 2.716522167e+02 0.06 2.617570207e+02 0.08 2.522002364e+02 0.10 2.429707593e+02 0.12 2.340578392e+02 0.14 2.254510687e+02 0.16 2.171403726e+02 0.18 2.091159976e+02 0.20 2.013685021e+02 0.22 1.938887468e+02 0.24 1.866678846e+02 0.26 1.796973520e+02 0.28 1.729688601e+02 0.30 1.664743857e+02 0.32 1.602061634e+02 0.34 1.541566771e+02 0.36 1.483186526e+02 0.38 1.426850494e+02 0.40 1.372490541e+02 0.42 1.320040726e+02 0.44 1.269437235e+02 0.46 1.220618314e+02 0.48 1.173524204e+02 0.50 1.128097078e+02 0.52 1.084280979e+02 0.54 1.042021762e+02 0.56 1.001267037e+02 0.58 9.619661133e+01 0.60 9.240699441e+01 0.62 8.875310774e+01 0.64 8.523036036e+01 0.66 8.183431068e+01 0.68 7.856066182e+01 0.70 7.540525692e+01 0.72 7.236407476e+01 0.74 6.943322542e+01 0.76 6.660894614e+01 0.78 6.388759724e+01 0.80 6.126565822e+01 0.82 5.873972393e+01 0.84 5.630650096e+01 0.86 5.396280400e+01 0.88 5.170555246e+01 0.90 4.953176703e+01 0.92 4.743856657e+01 0.94 4.542316483e+01 0.96 4.348286752e+01 0.98 4.161506931e+01 1.00 3.981725098e+01 1.02 3.808697666e+01 1.04 3.642189117e+01 1.06 3.481971740e+01 1.08 3.327825381e+01 1.10 3.179537199e+01 1.12 3.036901429e+01 1.14 2.899719158e+01 1.16 2.767798099e+01 1.18 2.640952378e+01 1.20 2.519002328e+01 1.22 2.401774287e+01 1.24 2.289100402e+01 1.26 2.180818440e+01 1.28 2.076771611e+01 1.30 1.976808383e+01 1.32 1.880782314e+01 1.34 1.788551889e+01 1.36 1.699980354e+01 1.38 1.614935563e+01 1.40 1.533289826e+01 1.42 1.454919766e+01 1.44 1.379706171e+01 1.46 1.307533863e+01 1.48 1.238291563e+01 1.50 1.171871762e+01 1.52 1.108170594e+01 1.54 1.047087721e+01 1.56 9.885262108e+00 1.58 9.323924264e+00 1.60 8.785959149e+00 1.62 8.270493013e+00 1.64 7.776681861e+00 1.66 7.303710445e+00 1.68 6.850791304e+00 1.70 6.417163820e+00 1.72 6.002093309e+00 1.74 5.604870146e+00 1.76 5.224808902e+00 1.78 4.861247521e+00 1.80 4.513546518e+00 1.82 4.181088194e+00 1.84 3.863275888e+00 1.86 3.559533242e+00 1.88 3.269303486e+00 1.90 2.992048757e+00 1.92 2.727249423e+00 1.94 2.474403436e+00 1.96 2.233025705e+00 1.98 2.002647479e+00 2.00 1.782815757e+00 2.02 1.573092708e+00 2.04 1.373055115e+00 2.06 1.182293827e+00 2.08 1.000413235e+00 2.10 8.270307533e-01 2.12 6.617763262e-01 2.14 5.042919422e-01 2.16 3.542311634e-01 2.18 2.112586723e-01 2.20 7.504982701e-02 2.22 -5.470976403e-02 2.24 -1.783246588e-01 2.26 -2.960899796e-01 2.28 -4.082918016e-01 2.30 -5.152075218e-01 2.32 -6.171062175e-01 2.34 -7.142489846e-01 2.36 -8.068892626e-01 2.38 -8.952731377e-01 2.40 -9.796396308e-01 2.42 -1.060220959e+00 2.44 -1.137242779e+00 2.46 -1.210924399e+00 2.48 -1.281478968e+00 2.50 -1.349113626e+00 2.52 -1.414029626e+00 2.54 -1.476422411e+00 2.56 -1.536481646e+00 2.58 -1.594391206e+00 2.60 -1.650329099e+00 2.62 -1.704467338e+00 2.64 -1.756971737e+00 2.66 -1.808001635e+00 2.68 -1.857709541e+00 2.70 -1.906240686e+00 2.72 -1.953732487e+00 2.74 -2.000313909e+00 2.76 -2.046104727e+00 2.78 -2.091214683e+00 2.80 -2.135742550e+00 2.82 -2.179775094e+00 2.84 -2.223385959e+00 2.86 -2.266634487e+00 2.88 -2.309564503e+00 2.90 -2.352203089e+00 2.92 -2.394559407e+00 2.94 -2.436623608e+00 2.96 -2.478365907e+00 2.98 -2.519735875e+00 3.00 -2.560662058e+00 3.02 -2.601051970e+00 3.04 -2.640792576e+00 3.06 -2.679751312e+00 3.08 -2.717777719e+00 3.10 -2.754705723e+00 3.12 -2.790356561e+00 3.14 -2.824542338e+00 3.16 -2.857070120e+00 3.18 -2.887746459e+00 3.20 -2.916382193e+00 3.22 -2.942797314e+00 3.24 -2.966825702e+00 3.26 -2.988319500e+00 3.28 -3.007152928e+00 3.30 -3.023225352e+00 3.32 -3.036463489e+00 3.34 -3.046822667e+00 3.36 -3.054287135e+00 3.38 -3.058869452e+00 3.40 -3.060609078e+00 3.42 -3.059570269e+00 3.44 -3.055839454e+00 3.46 -3.049522240e+00 3.48 -3.040740218e+00 3.50 -3.029627692e+00 3.52 -3.016328482e+00 3.54 -3.000992865e+00 3.56 -2.983774762e+00 3.58 -2.964829193e+00 3.60 -2.944310045e+00 3.62 -2.922368168e+00 3.64 -2.899149791e+00 3.66 -2.874795249e+00 3.68 -2.849438006e+00 3.70 -2.823203945e+00 3.72 -2.796210899e+00 3.74 -2.768568397e+00 3.76 -2.740377582e+00 3.78 -2.711731290e+00 3.80 -2.682714247e+00 3.82 -2.653403365e+00 3.84 -2.623868110e+00 3.86 -2.594170928e+00 3.88 -2.564367701e+00 3.90 -2.534508221e+00 3.92 -2.504636676e+00 3.94 -2.474792131e+00 3.96 -2.445008990e+00 3.98 -2.415317452e+00 4.00 -2.385743927e+00 4.02 -2.356311443e+00 4.04 -2.327040015e+00 4.06 -2.297946981e+00 4.08 -2.269047322e+00 4.10 -2.240353938e+00 4.12 -2.211877905e+00 4.14 -2.183628704e+00 4.16 -2.155614423e+00 4.18 -2.127841935e+00 4.20 -2.100317058e+00 4.22 -2.073044694e+00 4.24 -2.046028945e+00 4.26 -2.019273222e+00 4.28 -1.992780335e+00 4.30 -1.966552568e+00 4.32 -1.940591750e+00 4.34 -1.914899309e+00 4.36 -1.889476322e+00 4.38 -1.864323555e+00 4.40 -1.839441503e+00 4.42 -1.814830416e+00 4.44 -1.790490325e+00 4.46 -1.766421067e+00 4.48 -1.742622302e+00 4.50 -1.719093528e+00 4.52 -1.695834099e+00 4.54 -1.672843233e+00 4.56 -1.650120024e+00 4.58 -1.627663453e+00 4.60 -1.605472396e+00 4.62 -1.583545630e+00 4.64 -1.561881841e+00 4.66 -1.540479630e+00 4.68 -1.519337521e+00 4.70 -1.498453963e+00 4.72 -1.477827335e+00 4.74 -1.457455954e+00 4.76 -1.437338077e+00 4.78 -1.417471906e+00 4.80 -1.397855590e+00 4.82 -1.378487232e+00 4.84 -1.359364890e+00 4.86 -1.340486583e+00 4.88 -1.321850290e+00 4.90 -1.303453957e+00 4.92 -1.285295498e+00 4.94 -1.267372799e+00 4.96 -1.249683720e+00 4.98 -1.232226098e+00 5.00 -1.214997747e+00 5.02 -1.197996465e+00 5.04 -1.181220031e+00 5.06 -1.164666213e+00 5.08 -1.148332764e+00 5.10 -1.132217427e+00 5.12 -1.113819097e+00 5.14 -1.061263992e+00 5.16 -8.905104432e-01 5.18 -4.905957239e-01 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