# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Wang-P-Xu-S-Liu-J-et-al--TWIP # implementation = 2017--Wang-P--TWIP--LAMMPS--ipr2 # 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 meta_TWIP meta_TWIP 0.02 -7.756135436e+12 0.04 -7.756135436e+12 0.06 -7.756135436e+12 0.08 -7.756135436e+12 0.10 -2.630060437e+12 0.12 2.372684177e+03 0.14 2.264480020e+03 0.16 2.157408147e+03 0.18 2.051820415e+03 0.20 1.948026709e+03 0.22 1.846297942e+03 0.24 1.746868900e+03 0.26 1.649941438e+03 0.28 1.555686933e+03 0.30 1.464248948e+03 0.32 1.375745108e+03 0.34 1.290269547e+03 0.36 1.207895015e+03 0.38 1.128674687e+03 0.40 1.052644126e+03 0.42 9.798224276e+02 0.44 9.102142203e+02 0.46 8.438110168e+02 0.48 7.805925477e+02 0.50 7.205280637e+02 0.52 6.635771739e+02 0.54 6.096912819e+02 0.56 5.588144724e+02 0.58 5.108844526e+02 0.60 4.658334133e+02 0.62 4.235885827e+02 0.64 3.840732736e+02 0.66 3.472074147e+02 0.68 3.129082336e+02 0.70 2.810906843e+02 0.72 2.516679968e+02 0.74 2.245522420e+02 0.76 1.996547044e+02 0.78 1.768863222e+02 0.80 1.561579066e+02 0.82 1.373805559e+02 0.84 1.204659610e+02 0.86 1.053266368e+02 0.88 9.187618712e+01 0.90 8.002939925e+01 0.92 6.970253987e+01 0.94 6.081348374e+01 0.96 5.328185079e+01 0.98 4.702913708e+01 1.00 4.197876615e+01 1.02 3.805624386e+01 1.04 3.518920470e+01 1.06 3.330747398e+01 1.08 3.234310757e+01 1.10 3.219830769e+01 1.12 3.223322086e+01 1.14 3.222459976e+01 1.16 3.217841319e+01 1.18 3.209986920e+01 1.20 3.199349699e+01 1.22 3.186322046e+01 1.24 3.171242618e+01 1.26 3.154402351e+01 1.28 3.136050108e+01 1.30 3.116397473e+01 1.32 3.095623209e+01 1.34 3.073877253e+01 1.36 3.051284248e+01 1.38 3.027946848e+01 1.40 3.003948451e+01 1.42 2.979355769e+01 1.44 2.954221073e+01 1.46 2.928584189e+01 1.48 2.902474369e+01 1.50 2.875911735e+01 1.52 2.848908708e+01 1.54 2.821471197e+01 1.56 2.793599690e+01 1.58 2.765290248e+01 1.60 2.736535213e+01 1.62 2.707323960e+01 1.64 2.677643467e+01 1.66 2.647478955e+01 1.68 2.616814295e+01 1.70 2.585632366e+01 1.72 2.553915428e+01 1.74 2.521645361e+01 1.76 2.488804054e+01 1.78 2.455373517e+01 1.80 2.421336063e+01 1.82 2.386674489e+01 1.84 2.351372143e+01 1.86 2.315413256e+01 1.88 2.278782836e+01 1.90 2.241466831e+01 1.92 2.203452198e+01 1.94 2.164726982e+01 1.96 2.125280500e+01 1.98 2.085103261e+01 2.00 2.042485323e+01 2.02 1.633225261e+01 2.04 1.278301690e+01 2.06 9.740844451e+00 2.08 7.155090493e+00 2.10 4.977785750e+00 2.12 3.163636491e+00 2.14 1.670026116e+00 2.16 4.570148746e-01 2.18 -5.126599546e-01 2.20 -1.273583491e+00 2.22 -1.857663469e+00 2.24 -2.294128605e+00 2.26 -2.609529763e+00 2.28 -2.827739432e+00 2.30 -2.969951613e+00 2.32 -3.054681722e+00 2.34 -3.097765807e+00 2.36 -3.112361029e+00 2.38 -3.108945005e+00 2.40 -3.095315242e+00 2.42 -3.076157888e+00 2.44 -3.052639798e+00 2.46 -3.025246941e+00 2.48 -2.994435614e+00 2.50 -2.960632568e+00 2.52 -2.924234789e+00 2.54 -2.885609545e+00 2.56 -2.845094545e+00 2.58 -2.802997852e+00 2.60 -2.759598023e+00 2.62 -2.715143770e+00 2.64 -2.669854205e+00 2.66 -2.623918860e+00 2.68 -2.577497657e+00 2.70 -2.530721022e+00 2.72 -2.483689501e+00 2.74 -2.436474136e+00 2.76 -2.389116381e+00 2.78 -2.341628105e+00 2.80 -2.293991720e+00 2.82 -2.246178281e+00 2.84 -2.198213907e+00 2.86 -2.150141597e+00 2.88 -2.102005295e+00 2.90 -2.053849755e+00 2.92 -2.005720434e+00 2.94 -1.957663795e+00 2.96 -1.909727151e+00 2.98 -1.861958853e+00 3.00 -1.814407966e+00 3.02 -1.767124419e+00 3.04 -1.720159132e+00 3.06 -1.673563918e+00 3.08 -1.627391745e+00 3.10 -1.581696182e+00 3.12 -1.536531849e+00 3.14 -1.491954360e+00 3.16 -1.448020329e+00 3.18 -1.404787528e+00 3.20 -1.362314387e+00 3.22 -1.320629444e+00 3.24 -1.279643455e+00 3.26 -1.239252238e+00 3.28 -1.199369183e+00 3.30 -1.159924774e+00 3.32 -1.120866987e+00 3.34 -1.082161154e+00 3.36 -1.043790892e+00 3.38 -1.005756852e+00 3.40 -9.680756947e-01 3.42 -9.307847453e-01 3.44 -8.939359462e-01 3.46 -8.575992601e-01 3.48 -8.218658963e-01 3.50 -7.868355288e-01 3.52 -7.526090628e-01 3.54 -7.191572361e-01 3.56 -6.864406904e-01 3.58 -6.544305057e-01 3.60 -6.230345255e-01 3.62 -5.923145589e-01 3.64 -5.618075229e-01 3.66 -5.313167337e-01 3.68 -5.022260830e-01 3.70 -4.754974341e-01 3.72 -4.521354206e-01 3.74 -4.291706761e-01 3.76 -4.036858304e-01 3.78 -3.742503236e-01 3.80 -3.405023804e-01 3.82 -3.026543526e-01 3.84 -2.629006090e-01 3.86 -2.237493255e-01 3.88 -1.867823657e-01 3.90 -1.529099230e-01 3.92 -1.225693028e-01 3.94 -9.587760439e-02 3.96 -7.274473097e-02 3.98 -5.295703517e-02 4.00 -3.623572912e-02 4.02 -2.227544956e-02 4.04 -1.076654735e-02 4.06 -1.406280422e-03 4.08 6.093866208e-03 4.10 1.200716484e-02 4.12 1.659327771e-02 4.14 2.010143496e-02 4.16 2.277423904e-02 4.18 2.485067146e-02 4.20 2.656880581e-02 4.22 2.812602473e-02 4.24 2.955544548e-02 4.26 3.085019440e-02 4.28 3.200484132e-02 4.30 3.301539966e-02 4.32 3.387932638e-02 4.34 3.459552197e-02 4.36 3.516433051e-02 4.38 3.558753960e-02 4.40 3.586838042e-02 4.42 3.601152767e-02 4.44 3.602309964e-02 4.46 3.591065813e-02 4.48 3.568320853e-02 4.50 3.535119976e-02 4.52 3.492652429e-02 4.54 3.442251817e-02 4.56 3.385396097e-02 4.58 3.323707582e-02 4.60 3.258952942e-02 4.62 3.192715014e-02 4.64 3.125360949e-02 4.66 3.056943994e-02 4.68 2.987519846e-02 4.70 2.917146662e-02 4.72 2.845885051e-02 4.74 2.773798077e-02 4.76 2.700951260e-02 4.78 2.627412572e-02 4.80 2.553252444e-02 4.82 2.478543758e-02 4.84 2.403361852e-02 4.86 2.327784521e-02 4.88 2.251892011e-02 4.90 2.175767026e-02 4.92 2.099494723e-02 4.94 2.023162714e-02 4.96 1.946861067e-02 4.98 1.870682303e-02 5.00 1.794721398e-02 5.02 1.719075785e-02 5.04 1.643845350e-02 5.06 1.569132433e-02 5.08 1.495041832e-02 5.10 1.421680795e-02 5.12 1.349159029e-02 5.14 1.277588694e-02 5.16 1.207084405e-02 5.18 1.137763231e-02 5.20 1.069744698e-02 5.22 1.003150786e-02 5.24 9.381059268e-03 5.26 8.747370111e-03 5.28 8.131733825e-03 5.30 7.535468394e-03 5.32 6.959916352e-03 5.34 6.406444783e-03 5.36 5.876445315e-03 5.38 5.371334128e-03 5.40 4.892551947e-03 5.42 4.441215077e-03 5.44 4.017053178e-03 5.46 3.619429327e-03 5.48 3.247685159e-03 5.50 2.901140868e-03 5.52 2.579095201e-03 5.54 2.280825464e-03 5.56 2.005587518e-03 5.58 1.752615781e-03 5.60 1.521123228e-03 5.62 1.310301390e-03 5.64 1.119320356e-03 5.66 9.473287683e-04 5.68 7.934538293e-04 5.70 6.568012959e-04 5.72 5.364554820e-04 5.74 4.314792582e-04 5.76 3.409140513e-04 5.78 2.637798450e-04 5.80 1.990751793e-04 5.82 1.457771509e-04 5.84 1.028414128e-04 5.86 6.920217493e-05 5.88 4.377220336e-05 5.90 2.544282090e-05 5.92 1.308390687e-05 5.94 5.543897104e-06 5.96 1.649784000e-06 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