# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2007--Mendelev-M-I-Ackland-G-J--Zr-3 # implementation = 2007--Mendelev-M-I--Zr-3--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 Zr Zr 0.02 4.367544468e+13 0.04 1.867544468e+13 0.06 1.034211135e+13 0.08 6.175444683e+12 0.10 1.488611419e+12 0.12 6.798111802e+04 0.14 5.099393123e+04 0.16 3.924529056e+04 0.18 3.081557197e+04 0.20 2.459339284e+04 0.22 1.989574993e+04 0.24 1.628279088e+04 0.26 1.346045117e+04 0.28 1.122605932e+04 0.30 9.436376844e+03 0.32 7.988011727e+03 0.34 6.804980667e+03 0.36 5.830569088e+03 0.38 5.021864648e+03 0.40 4.346003725e+03 0.42 3.777543969e+03 0.44 3.296593833e+03 0.46 2.887461040e+03 0.48 2.537662988e+03 0.50 2.237193536e+03 0.52 1.977973875e+03 0.54 1.753437238e+03 0.56 1.558211997e+03 0.58 1.387877814e+03 0.60 1.238776575e+03 0.62 1.107864716e+03 0.64 9.925971160e+02 0.66 8.908352082e+02 0.68 8.007738227e+02 0.70 7.208826001e+02 0.72 6.498588187e+02 0.74 5.865892089e+02 0.76 5.301188859e+02 0.78 4.796259484e+02 0.80 4.344006135e+02 0.82 3.938279992e+02 0.84 3.573738549e+02 0.86 3.245726848e+02 0.88 2.950178232e+02 0.90 2.683531078e+02 0.92 2.442658678e+02 0.94 2.224809970e+02 0.96 2.027559272e+02 0.98 1.848763503e+02 1.00 1.686525607e+02 1.02 1.539968876e+02 1.04 1.408114561e+02 1.06 1.289263000e+02 1.08 1.181932636e+02 1.10 1.084829571e+02 1.12 9.968216446e+01 1.14 9.169163642e+01 1.16 8.442420816e+01 1.18 7.780318993e+01 1.20 7.176098901e+01 1.22 6.623792741e+01 1.24 6.118122562e+01 1.26 5.654412750e+01 1.28 5.228514541e+01 1.30 4.836740793e+01 1.32 4.475809520e+01 1.34 4.142794931e+01 1.36 3.835084913e+01 1.38 3.550344030e+01 1.40 3.286481297e+01 1.42 3.041622044e+01 1.44 2.814083327e+01 1.46 2.602352399e+01 1.48 2.405067833e+01 1.50 2.221002945e+01 1.52 2.049051216e+01 1.54 1.888213453e+01 1.56 1.737586456e+01 1.58 1.596353018e+01 1.60 1.463773065e+01 1.62 1.339175815e+01 1.64 1.221952811e+01 1.66 1.111551737e+01 1.68 1.007470903e+01 1.70 9.092543353e+00 1.72 8.164873859e+00 1.74 7.287928059e+00 1.76 6.458272254e+00 1.78 5.672779920e+00 1.80 4.928603260e+00 1.82 4.223147561e+00 1.84 3.554048015e+00 1.86 2.919148747e+00 1.88 2.316483770e+00 1.90 1.744259679e+00 1.92 1.200839867e+00 1.94 6.847301131e-01 1.96 1.945653864e-01 1.98 -2.709022613e-01 2.00 -7.128148239e-01 2.02 -1.132218590e+00 2.04 -1.530073597e+00 2.06 -1.907262362e+00 2.08 -2.264597957e+00 2.10 -2.602831480e+00 2.12 -2.922658962e+00 2.14 -3.224727764e+00 2.16 -3.509642487e+00 2.18 -3.777970419e+00 2.20 -4.030246560e+00 2.22 -4.266978227e+00 2.24 -4.488649262e+00 2.26 -4.695723869e+00 2.28 -4.888650064e+00 2.30 -5.067862005e+00 2.32 -5.219160106e+00 2.34 -5.333509892e+00 2.36 -5.418133198e+00 2.38 -5.479092711e+00 2.40 -5.521434668e+00 2.42 -5.549318218e+00 2.44 -5.566132969e+00 2.46 -5.574605408e+00 2.48 -5.576894861e+00 2.50 -5.574679680e+00 2.52 -5.569234262e+00 2.54 -5.561497536e+00 2.56 -5.552133512e+00 2.58 -5.541584464e+00 2.60 -5.530117310e+00 2.62 -5.517863720e+00 2.64 -5.504854474e+00 2.66 -5.491048566e+00 2.68 -5.476357524e+00 2.70 -5.460665411e+00 2.72 -5.443844939e+00 2.74 -5.425770115e+00 2.76 -5.406325805e+00 2.78 -5.385414613e+00 2.80 -5.362961405e+00 2.82 -5.338915840e+00 2.84 -5.313253199e+00 2.86 -5.285973827e+00 2.88 -5.257101455e+00 2.90 -5.226680656e+00 2.92 -5.194773677e+00 2.94 -5.161456855e+00 2.96 -5.126816820e+00 2.98 -5.090946651e+00 3.00 -5.053942147e+00 3.02 -5.015898352e+00 3.04 -4.976906429e+00 3.06 -4.937051007e+00 3.08 -4.896408050e+00 3.10 -4.855043319e+00 3.12 -4.813011449e+00 3.14 -4.770355671e+00 3.16 -4.727108156e+00 3.18 -4.683290968e+00 3.20 -4.638917573e+00 3.22 -4.593994845e+00 3.24 -4.548525475e+00 3.26 -4.502510679e+00 3.28 -4.455953088e+00 3.30 -4.408859657e+00 3.32 -4.361244441e+00 3.34 -4.313131045e+00 3.36 -4.264554544e+00 3.38 -4.215562641e+00 3.40 -4.166215826e+00 3.42 -4.116586255e+00 3.44 -4.066755084e+00 3.46 -4.016807918e+00 3.48 -3.966828088e+00 3.50 -3.916887371e+00 3.52 -3.867035323e+00 3.54 -3.817303003e+00 3.56 -3.767714711e+00 3.58 -3.718289709e+00 3.60 -3.669042698e+00 3.62 -3.619984278e+00 3.64 -3.571121377e+00 3.66 -3.522457659e+00 3.68 -3.473993906e+00 3.70 -3.425728387e+00 3.72 -3.377657190e+00 3.74 -3.329774547e+00 3.76 -3.282073133e+00 3.78 -3.234544345e+00 3.80 -3.187178562e+00 3.82 -3.139965392e+00 3.84 -3.092893894e+00 3.86 -3.045952789e+00 3.88 -2.999130654e+00 3.90 -2.952416093e+00 3.92 -2.905797908e+00 3.94 -2.859265239e+00 3.96 -2.812807710e+00 3.98 -2.766415530e+00 4.00 -2.720079626e+00 4.02 -2.673791722e+00 4.04 -2.627544429e+00 4.06 -2.581331325e+00 4.08 -2.535147014e+00 4.10 -2.488987170e+00 4.12 -2.442848620e+00 4.14 -2.396729319e+00 4.16 -2.350628429e+00 4.18 -2.304546337e+00 4.20 -2.258484632e+00 4.22 -2.212446130e+00 4.24 -2.166434882e+00 4.26 -2.120456163e+00 4.28 -2.074516459e+00 4.30 -2.028623445e+00 4.32 -1.982785967e+00 4.34 -1.937014015e+00 4.36 -1.891318694e+00 4.38 -1.845712186e+00 4.40 -1.800207711e+00 4.42 -1.754819474e+00 4.44 -1.709562624e+00 4.46 -1.664453278e+00 4.48 -1.619508589e+00 4.50 -1.574746232e+00 4.52 -1.530184472e+00 4.54 -1.485842885e+00 4.56 -1.441741808e+00 4.58 -1.397900613e+00 4.60 -1.354341824e+00 4.62 -1.311086499e+00 4.64 -1.268155708e+00 4.66 -1.225574884e+00 4.68 -1.183361998e+00 4.70 -1.141547275e+00 4.72 -1.100145086e+00 4.74 -1.059187645e+00 4.76 -1.018695085e+00 4.78 -9.786797030e-01 4.80 -9.392068530e-01 4.82 -9.002198461e-01 4.84 -8.617959315e-01 4.86 -8.240414961e-01 4.88 -7.859536466e-01 4.90 -7.483591143e-01 4.92 -7.126525389e-01 4.94 -6.798002234e-01 4.96 -6.509584269e-01 4.98 -6.230112567e-01 5.00 -5.928694909e-01 5.02 -5.589008694e-01 5.04 -5.205405280e-01 5.06 -4.778874784e-01 5.08 -4.317933900e-01 5.10 -3.850158854e-01 5.12 -3.396749516e-01 5.14 -2.971188648e-01 5.16 -2.581288708e-01 5.18 -2.230798047e-01 5.20 -1.920640829e-01 5.22 -1.649856412e-01 5.24 -1.416295671e-01 5.26 -1.217124002e-01 5.28 -1.049173409e-01 5.30 -9.091794001e-02 5.32 -7.939322253e-02 5.34 -7.003664922e-02 5.36 -6.256082676e-02 5.38 -5.669945057e-02 5.40 -5.220759819e-02 5.42 -4.886118433e-02 5.44 -4.645613835e-02 5.46 -4.480766552e-02 5.48 -4.374980060e-02 5.50 -4.313535003e-02 5.52 -4.283624045e-02 5.54 -4.274424152e-02 5.56 -4.277200293e-02 5.58 -4.285433495e-02 5.60 -4.294966346e-02 5.62 -4.304047606e-02 5.64 -4.312236175e-02 5.66 -4.319217339e-02 5.68 -4.324695743e-02 5.70 -4.328397968e-02 5.72 -4.330074842e-02 5.74 -4.329503445e-02 5.76 -4.326488756e-02 5.78 -4.320864939e-02 5.80 -4.312496191e-02 5.82 -4.301277140e-02 5.84 -4.287132736e-02 5.86 -4.270017611e-02 5.88 -4.249914844e-02 5.90 -4.226834100e-02 5.92 -4.200809099e-02 5.94 -4.171894366e-02 5.96 -4.140161210e-02 5.98 -4.105692894e-02 6.00 -4.068578940e-02 6.02 -4.028907107e-02 6.04 -3.986742705e-02 6.06 -3.942116964e-02 6.08 -3.895034041e-02 6.10 -3.845478831e-02 6.12 -3.793423908e-02 6.14 -3.738835644e-02 6.16 -3.681679553e-02 6.18 -3.621924921e-02 6.20 -3.559548737e-02 6.22 -3.494538996e-02 6.24 -3.426897412e-02 6.26 -3.356641562e-02 6.28 -3.283806538e-02 6.30 -3.208446106e-02 6.32 -3.130633441e-02 6.34 -3.050461461e-02 6.36 -2.968042798e-02 6.38 -2.883509441e-02 6.40 -2.797012081e-02 6.42 -2.708719202e-02 6.44 -2.618815929e-02 6.46 -2.527502687e-02 6.48 -2.434993679e-02 6.50 -2.341515221e-02 6.52 -2.247303961e-02 6.54 -2.152605000e-02 6.56 -2.057669952e-02 6.58 -1.962754948e-02 6.60 -1.868118624e-02 6.62 -1.774020102e-02 6.64 -1.680716984e-02 6.66 -1.588463388e-02 6.68 -1.497508028e-02 6.70 -1.408092364e-02 6.72 -1.320448834e-02 6.74 -1.234799184e-02 6.76 -1.151352903e-02 6.78 -1.070305779e-02 6.80 -9.918385845e-03 6.82 -9.161159035e-03 6.84 -8.432851005e-03 6.86 -7.734754464e-03 6.88 -7.067974024e-03 6.90 -6.433420668e-03 6.92 -5.831807883e-03 6.94 -5.263649482e-03 6.96 -4.729259114e-03 6.98 -4.228751467e-03 7.00 -3.762045146e-03 7.02 -3.328867203e-03 7.04 -2.928759269e-03 7.06 -2.561085261e-03 7.08 -2.225040582e-03 7.10 -1.919662745e-03 7.12 -1.643843352e-03 7.14 -1.396341306e-03 7.16 -1.175797177e-03 7.18 -9.807485732e-04 7.20 -8.096464155e-04 7.22 -6.608719472e-04 7.24 -5.327543413e-04 7.26 -4.235887333e-04 7.28 -3.316545015e-04 7.30 -2.552336074e-04 7.32 -1.926287947e-04 7.34 -1.421814336e-04 7.36 -1.022887884e-04 7.38 -7.142046977e-05 7.40 -4.813382728e-05 7.42 -3.108802062e-05 7.44 -1.905650064e-05 7.46 -1.093761701e-05 7.48 -5.763058884e-06 7.50 -2.703822875e-06 7.52 -1.073391262e-06 7.54 -3.277914803e-07 7.56 -6.219649008e-08 7.58 -3.713886787e-09 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