# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Mg # implementation = 2004--Zhou-X-W--Mg--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 Mg Mg 0.02 1.867044992e+04 0.04 9.334929587e+03 0.06 6.223089475e+03 0.08 4.667169419e+03 0.10 3.733617385e+03 0.12 3.111249362e+03 0.14 2.666700775e+03 0.16 2.333289334e+03 0.18 2.073969325e+03 0.20 1.866513318e+03 0.22 1.696776584e+03 0.24 1.555329306e+03 0.26 1.435643148e+03 0.28 1.333055013e+03 0.30 1.244145295e+03 0.32 1.166349292e+03 0.34 1.097705760e+03 0.36 1.036689288e+03 0.38 9.820956013e+02 0.40 9.329612838e+02 0.42 8.885064250e+02 0.44 8.480929171e+02 0.46 8.111936272e+02 0.48 7.773692782e+02 0.50 7.459865985e+02 0.52 6.991874824e+02 0.54 6.550721695e+02 0.56 6.137200373e+02 0.58 5.749578537e+02 0.60 5.386233149e+02 0.62 5.045643497e+02 0.64 4.726384688e+02 0.66 4.427121538e+02 0.68 4.146602864e+02 0.70 3.883656139e+02 0.72 3.637182487e+02 0.74 3.406152011e+02 0.76 3.189599411e+02 0.78 2.986619896e+02 0.80 2.796365350e+02 0.82 2.618040754e+02 0.84 2.450900831e+02 0.86 2.294246914e+02 0.88 2.147424008e+02 0.90 2.009818045e+02 0.92 1.880853310e+02 0.94 1.759990038e+02 0.96 1.646722155e+02 0.98 1.540575171e+02 1.00 1.441104199e+02 1.02 1.347892105e+02 1.04 1.260547773e+02 1.06 1.178704477e+02 1.08 1.102018361e+02 1.10 1.030167010e+02 1.12 9.628481091e+01 1.14 8.997781952e+01 1.16 8.406914774e+01 1.18 7.853387369e+01 1.20 7.334862941e+01 1.22 6.849150402e+01 1.24 6.394195293e+01 1.26 5.968071280e+01 1.28 5.568972167e+01 1.30 5.195204418e+01 1.32 4.845180144e+01 1.34 4.517410518e+01 1.36 4.210499615e+01 1.38 3.923138622e+01 1.40 3.654100415e+01 1.42 3.402234476e+01 1.44 3.166462120e+01 1.46 2.945772022e+01 1.48 2.739216025e+01 1.50 2.545905202e+01 1.52 2.365006173e+01 1.54 2.195737639e+01 1.56 2.037367144e+01 1.58 1.889208026e+01 1.60 1.750616569e+01 1.62 1.620984853e+01 1.64 1.499737761e+01 1.66 1.386356089e+01 1.68 1.280352876e+01 1.70 1.181270073e+01 1.72 1.088676915e+01 1.74 1.002168383e+01 1.76 9.213637416e+00 1.78 8.459051529e+00 1.80 7.754585768e+00 1.82 7.097247890e+00 1.84 6.484270884e+00 1.86 5.913026232e+00 1.88 5.381019525e+00 1.90 4.885885599e+00 1.92 4.425383618e+00 1.94 3.997392128e+00 1.96 3.599904126e+00 1.98 3.231022177e+00 2.00 2.888953585e+00 2.02 2.572005664e+00 2.04 2.278581099e+00 2.06 2.007173433e+00 2.08 1.756362670e+00 2.10 1.524811021e+00 2.12 1.311258782e+00 2.14 1.114520364e+00 2.16 9.334804603e-01 2.18 7.670903715e-01 2.20 6.143644705e-01 2.22 4.743768189e-01 2.24 3.462579285e-01 2.26 2.291916660e-01 2.28 1.224122974e-01 2.30 2.520167189e-02 2.32 -6.311346251e-02 2.34 -1.431640122e-01 2.36 -2.155409656e-01 2.38 -2.807976992e-01 2.40 -3.394521665e-01 2.42 -3.919889735e-01 2.44 -4.388613466e-01 2.46 -4.804929952e-01 2.48 -5.172798762e-01 2.50 -5.495918614e-01 2.52 -5.777743155e-01 2.54 -6.021495858e-01 2.56 -6.230184099e-01 2.58 -6.406612441e-01 2.60 -6.553395165e-01 2.62 -6.672968096e-01 2.64 -6.767599739e-01 2.66 -6.839401779e-01 2.68 -6.890338972e-01 2.70 -6.922238450e-01 2.72 -6.936798487e-01 2.74 -6.935596740e-01 2.76 -6.920098001e-01 2.78 -6.891661487e-01 2.80 -6.851547690e-01 2.82 -6.800924815e-01 2.84 -6.740874819e-01 2.86 -6.672399095e-01 2.88 -6.596423797e-01 2.90 -6.513804836e-01 2.92 -6.425332580e-01 2.94 -6.331736244e-01 2.96 -6.233688020e-01 2.98 -6.131806945e-01 3.00 -6.026662517e-01 3.02 -5.918778098e-01 3.04 -5.808634087e-01 3.06 -5.696670903e-01 3.08 -5.583291762e-01 3.10 -5.468865295e-01 3.12 -5.353727980e-01 3.14 -5.238186429e-01 3.16 -5.122519519e-01 3.18 -5.006980388e-01 3.20 -4.891798297e-01 3.22 -4.777180374e-01 3.24 -4.663313242e-01 3.26 -4.550364533e-01 3.28 -4.438484310e-01 3.30 -4.327806390e-01 3.32 -4.218449577e-01 3.34 -4.110518814e-01 3.36 -4.004106258e-01 3.38 -3.899292277e-01 3.40 -3.796146384e-01 3.42 -3.694728108e-01 3.44 -3.595087797e-01 3.46 -3.497267375e-01 3.48 -3.401301039e-01 3.50 -3.307215910e-01 3.52 -3.215032642e-01 3.54 -3.124765979e-01 3.56 -3.036425280e-01 3.58 -2.950015005e-01 3.60 -2.865535163e-01 3.62 -2.782981728e-01 3.64 -2.702347030e-01 3.66 -2.623620110e-01 3.68 -2.546787053e-01 3.70 -2.471831295e-01 3.72 -2.398733905e-01 3.74 -2.327473853e-01 3.76 -2.258028244e-01 3.78 -2.190372550e-01 3.80 -2.124480809e-01 3.82 -2.060325821e-01 3.84 -1.997879318e-01 3.86 -1.937112126e-01 3.88 -1.877994315e-01 3.90 -1.820495330e-01 3.92 -1.764584118e-01 3.94 -1.710229240e-01 3.96 -1.657398976e-01 3.98 -1.606061417e-01 4.00 -1.556184553e-01 4.02 -1.507736347e-01 4.04 -1.460684811e-01 4.06 -1.414998063e-01 4.08 -1.370644391e-01 4.10 -1.327592295e-01 4.12 -1.285810542e-01 4.14 -1.245268196e-01 4.16 -1.205934660e-01 4.18 -1.167779701e-01 4.20 -1.130773490e-01 4.22 -1.094886640e-01 4.24 -1.060090138e-01 4.26 -1.026355409e-01 4.28 -9.936543279e-02 4.30 -9.619592278e-02 4.32 -9.312428983e-02 4.34 -9.014785843e-02 4.36 -8.726399799e-02 4.38 -8.447012206e-02 4.40 -8.176368722e-02 4.42 -7.914219192e-02 4.44 -7.660317507e-02 4.46 -7.414421478e-02 4.48 -7.176292707e-02 4.50 -6.945696492e-02 4.52 -6.722401761e-02 4.54 -6.506181071e-02 4.56 -6.296810663e-02 4.58 -6.094070602e-02 4.60 -5.897742739e-02 4.62 -5.707571688e-02 4.64 -5.523343372e-02 4.66 -5.344867520e-02 4.68 -5.171958104e-02 4.70 -5.004434065e-02 4.72 -4.842120007e-02 4.74 -4.684846793e-02 4.76 -4.532452031e-02 4.78 -4.384780401e-02 4.80 -4.241683806e-02 4.82 -4.103021336e-02 4.84 -3.968659058e-02 4.86 -3.838469645e-02 4.88 -3.712331883e-02 4.90 -3.590130088e-02 4.92 -3.471753478e-02 4.94 -3.357095548e-02 4.96 -3.246053465e-02 4.98 -3.138527523e-02 5.00 -3.034420671e-02 5.02 -2.933638127e-02 5.04 -2.836087070e-02 5.06 -2.741676417e-02 5.08 -2.650316669e-02 5.10 -2.561919816e-02 5.12 -2.476399294e-02 5.14 -2.393669974e-02 5.16 -2.313648179e-02 5.18 -2.236251715e-02 5.20 -2.161399914e-02 5.22 -2.089013676e-02 5.24 -2.019015509e-02 5.26 -1.951329563e-02 5.28 -1.885881660e-02 5.30 -1.822599306e-02 5.32 -1.761411703e-02 5.34 -1.702249744e-02 5.36 -1.645046001e-02 5.38 -1.589734705e-02 5.40 -1.536251716e-02 5.42 -1.484534484e-02 5.44 -1.434522004e-02 5.46 -1.386154766e-02 5.48 -1.339374699e-02 5.50 -1.294125106e-02 5.52 -1.250350603e-02 5.54 -1.207997042e-02 5.56 -1.167011447e-02 5.58 -1.127341931e-02 5.60 -1.088937624e-02 5.62 -1.051748592e-02 5.64 -1.015725761e-02 5.66 -9.808208384e-03 5.68 -9.469862399e-03 5.70 -9.141750157e-03 5.72 -8.823407864e-03 5.74 -8.514376836e-03 5.76 -8.214203022e-03 5.78 -7.922436658e-03 5.80 -7.638632089e-03 5.82 -7.362347815e-03 5.84 -7.093146803e-03 5.86 -6.830597124e-03 5.88 -6.574272987e-03 5.90 -6.323756240e-03 5.92 -6.078638409e-03 5.94 -5.838523352e-03 5.96 -5.603030604e-03 5.98 -5.371799460e-03 6.00 -5.144493838e-03 6.02 -4.920807920e-03 6.04 -4.700472523e-03 6.06 -4.483262075e-03 6.08 -4.269002022e-03 6.10 -4.057576354e-03 6.12 -3.848934858e-03 6.14 -3.643099619e-03 6.16 -3.440170141e-03 6.18 -3.240326474e-03 6.20 -3.043829665e-03 6.22 -2.851018915e-03 6.24 -2.662304992e-03 6.26 -2.478159647e-03 6.28 -2.299101077e-03 6.30 -2.125675878e-03 6.32 -1.958438259e-03 6.34 -1.797927663e-03 6.36 -1.644646178e-03 6.38 -1.499037226e-03 6.40 -1.361466979e-03 6.42 -1.232209742e-03 6.44 -1.111438155e-03 6.46 -9.992186762e-04 6.48 -8.955122901e-04 6.50 -8.001799819e-04 6.52 -7.129921865e-04 6.54 -6.336411807e-04 6.56 -5.617553299e-04 6.58 -4.969141122e-04 6.60 -4.386629858e-04 6.62 -3.865273419e-04 6.64 -3.400250021e-04 6.66 -2.986769269e-04 6.68 -2.620159874e-04 6.70 -2.295938048e-04 6.72 -2.009857727e-04 6.74 -1.757944517e-04 6.76 -1.536515648e-04 6.78 -1.342188369e-04 6.80 -1.171879163e-04 6.82 -1.022795945e-04 6.84 -8.924251952e-05 6.86 -7.785156211e-05 6.88 -6.790597264e-05 6.90 -5.922743036e-05 6.92 -5.165806913e-05 6.94 -4.505853866e-05 6.96 -3.930614303e-05 6.98 -3.429308634e-05 7.00 -2.992484074e-05 7.02 -2.611864677e-05 7.04 -2.280214754e-05 7.06 -1.991215431e-05 7.08 -1.739353869e-05 7.10 -1.519824314e-05 7.12 -1.328440183e-05 7.14 -1.161556224e-05 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