# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1995--Ackland-G-J-Wooding-S-J-Bacon-D-J--Zr # implementation = 1995--Ackland-G-J--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 9.263405414e+05 0.04 3.832428613e+05 0.06 2.157926448e+05 0.08 1.387019534e+05 0.10 9.609594653e+04 0.12 6.989195224e+04 0.14 5.260122599e+04 0.16 4.061127281e+04 0.18 3.198540508e+04 0.20 2.560125721e+04 0.22 2.076836906e+04 0.24 1.704156312e+04 0.26 1.412280334e+04 0.28 1.180635281e+04 0.30 9.946545926e+03 0.32 8.438033812e+03 0.34 7.203235551e+03 0.36 6.184120890e+03 0.38 5.336687432e+03 0.40 4.627164480e+03 0.42 4.029352371e+03 0.44 3.522725565e+03 0.46 3.091059774e+03 0.48 2.721424996e+03 0.50 2.403438050e+03 0.52 2.128701707e+03 0.54 1.890379704e+03 0.56 1.682871803e+03 0.58 1.501563286e+03 0.60 1.342630351e+03 0.62 1.202887846e+03 0.64 1.079669323e+03 0.66 9.707319643e+02 0.68 8.741807674e+02 0.70 7.884077362e+02 0.72 7.120428529e+02 0.74 6.439143374e+02 0.76 5.830162765e+02 0.78 5.284821285e+02 0.80 4.795629388e+02 0.82 4.356093473e+02 0.84 3.960566654e+02 0.86 3.604124473e+02 0.88 3.282460967e+02 0.90 2.991801435e+02 0.92 2.728828928e+02 0.94 2.490622106e+02 0.96 2.274602495e+02 0.98 2.078489601e+02 1.00 1.900262537e+02 1.02 1.737496170e+02 1.04 1.588224232e+02 1.06 1.451354654e+02 1.08 1.325878494e+02 1.10 1.210864436e+02 1.12 1.105453518e+02 1.14 1.008854123e+02 1.16 9.203372342e+01 1.18 8.392319452e+01 1.20 7.649212261e+01 1.22 6.968379427e+01 1.24 6.344611180e+01 1.26 5.773124300e+01 1.28 5.249529369e+01 1.30 4.769800203e+01 1.32 4.330245376e+01 1.34 3.927481711e+01 1.36 3.558409668e+01 1.38 3.220190500e+01 1.40 2.910225099e+01 1.42 2.626134409e+01 1.44 2.365741332e+01 1.46 2.127054012e+01 1.48 1.908250431e+01 1.50 1.707664200e+01 1.52 1.523771487e+01 1.54 1.355178992e+01 1.56 1.200612894e+01 1.58 1.058908697e+01 1.60 9.290019213e+00 1.62 8.099195518e+00 1.64 7.007722137e+00 1.66 6.007469981e+00 1.68 5.091008961e+00 1.70 4.251547914e+00 1.72 3.482879668e+00 1.74 2.779330824e+00 1.76 2.135715880e+00 1.78 1.547295338e+00 1.80 1.009737466e+00 1.82 5.190834131e-01 1.84 7.171539723e-02 1.86 -3.356722892e-01 1.88 -7.060996918e-01 1.90 -1.042325241e+00 1.92 -1.346867632e+00 1.94 -1.622025712e+00 1.96 -1.869896556e+00 1.98 -2.092391856e+00 2.00 -2.291252662e+00 2.02 -2.475343737e+00 2.04 -2.652518222e+00 2.06 -2.822881468e+00 2.08 -2.986538701e+00 2.10 -3.143595153e+00 2.12 -3.294156061e+00 2.14 -3.438326670e+00 2.16 -3.576212228e+00 2.18 -3.707917988e+00 2.20 -3.833549212e+00 2.22 -3.953211165e+00 2.24 -4.067009120e+00 2.26 -4.175048355e+00 2.28 -4.277434154e+00 2.30 -4.374271807e+00 2.32 -4.465666611e+00 2.34 -4.551723870e+00 2.36 -4.632548893e+00 2.38 -4.708246998e+00 2.40 -4.778923506e+00 2.42 -4.844683748e+00 2.44 -4.905633061e+00 2.46 -4.961876790e+00 2.48 -5.013520284e+00 2.50 -5.060668903e+00 2.52 -5.103428012e+00 2.54 -5.141902985e+00 2.56 -5.176199203e+00 2.58 -5.206422055e+00 2.60 -5.232676937e+00 2.62 -5.255069253e+00 2.64 -5.273704418e+00 2.66 -5.288687852e+00 2.68 -5.300124985e+00 2.70 -5.308121254e+00 2.72 -5.312782108e+00 2.74 -5.314213001e+00 2.76 -5.312519400e+00 2.78 -5.307806777e+00 2.80 -5.300180617e+00 2.82 -5.289746412e+00 2.84 -5.276609665e+00 2.86 -5.260875890e+00 2.88 -5.242650608e+00 2.90 -5.222039353e+00 2.92 -5.199147669e+00 2.94 -5.174081108e+00 2.96 -5.146945237e+00 2.98 -5.117845632e+00 3.00 -5.086887879e+00 3.02 -5.054177578e+00 3.04 -5.019820339e+00 3.06 -4.983921785e+00 3.08 -4.946587550e+00 3.10 -4.907923281e+00 3.12 -4.868034639e+00 3.14 -4.827027296e+00 3.16 -4.785006937e+00 3.18 -4.742079263e+00 3.20 -4.698349986e+00 3.22 -4.653912287e+00 3.24 -4.608812683e+00 3.26 -4.563086853e+00 3.28 -4.516770490e+00 3.30 -4.469899302e+00 3.32 -4.422509015e+00 3.34 -4.374635368e+00 3.36 -4.326314119e+00 3.38 -4.277581042e+00 3.40 -4.228471926e+00 3.42 -4.179022581e+00 3.44 -4.129268832e+00 3.46 -4.079246524e+00 3.48 -4.028991520e+00 3.50 -3.978539703e+00 3.52 -3.927926975e+00 3.54 -3.877189258e+00 3.56 -3.826362496e+00 3.58 -3.775482652e+00 3.60 -3.724585714e+00 3.62 -3.673707690e+00 3.64 -3.622884610e+00 3.66 -3.572152503e+00 3.68 -3.521538700e+00 3.70 -3.471049409e+00 3.72 -3.420687720e+00 3.74 -3.370456750e+00 3.76 -3.320359643e+00 3.78 -3.270399571e+00 3.80 -3.220579734e+00 3.82 -3.170903360e+00 3.84 -3.121373709e+00 3.86 -3.071994072e+00 3.88 -3.022767771e+00 3.90 -2.973698163e+00 3.92 -2.924788633e+00 3.94 -2.876042610e+00 3.96 -2.827463554e+00 3.98 -2.779054959e+00 4.00 -2.730820370e+00 4.02 -2.682763353e+00 4.04 -2.634887538e+00 4.06 -2.587196573e+00 4.08 -2.539694172e+00 4.10 -2.492384085e+00 4.12 -2.445270100e+00 4.14 -2.398356077e+00 4.16 -2.351645914e+00 4.18 -2.305143554e+00 4.20 -2.258853003e+00 4.22 -2.212778326e+00 4.24 -2.166923651e+00 4.26 -2.121293164e+00 4.28 -2.075891114e+00 4.30 -2.030721816e+00 4.32 -1.985789659e+00 4.34 -1.941099107e+00 4.36 -1.896654780e+00 4.38 -1.852461814e+00 4.40 -1.808525570e+00 4.42 -1.764851482e+00 4.44 -1.721445060e+00 4.46 -1.678311945e+00 4.48 -1.635458049e+00 4.50 -1.592889152e+00 4.52 -1.550610992e+00 4.54 -1.508629885e+00 4.56 -1.466952327e+00 4.58 -1.425583854e+00 4.60 -1.384531939e+00 4.62 -1.343802798e+00 4.64 -1.303402676e+00 4.66 -1.263340344e+00 4.68 -1.223620046e+00 4.70 -1.184253415e+00 4.72 -1.145242599e+00 4.74 -1.106601831e+00 4.76 -1.068333039e+00 4.78 -1.030445986e+00 4.80 -9.929594314e-01 4.82 -9.558566452e-01 4.84 -9.191795288e-01 4.86 -8.829160405e-01 4.88 -8.470354135e-01 4.90 -8.116386097e-01 4.92 -7.765493169e-01 4.94 -7.409941118e-01 4.96 -7.061737057e-01 4.98 -6.731514845e-01 5.00 -6.427677975e-01 5.02 -6.158262649e-01 5.04 -5.892800677e-01 5.06 -5.604980187e-01 5.08 -5.280161056e-01 5.10 -4.912532977e-01 5.12 -4.502241237e-01 5.14 -4.054349248e-01 5.16 -3.593414890e-01 5.18 -3.140371886e-01 5.20 -2.709231257e-01 5.22 -2.308755287e-01 5.24 -1.943854699e-01 5.26 -1.616668996e-01 5.28 -1.327360459e-01 5.30 -1.074761039e-01 5.32 -8.568610747e-02 5.34 -6.711668170e-02 5.36 -5.149526080e-02 5.38 -3.854301211e-02 5.40 -2.798538211e-02 5.42 -1.955788362e-02 5.44 -1.300847101e-02 5.46 -8.097603083e-03 5.48 -4.596871255e-03 5.50 -2.283847889e-03 5.52 -9.168999741e-04 5.54 -2.456821577e-04 5.56 -2.224247687e-05 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