# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Lee-J-S-Xu-G-Suh-J-S-et-al--Mg # implementation = 2024--Lee-J-S--Mg--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 2026-08-31 r Mg Mg 0.02 4.940460653e+02 0.04 4.707591272e+02 0.06 4.486172516e+02 0.08 4.275492719e+02 0.10 4.074911719e+02 0.12 3.883850148e+02 0.14 3.701780584e+02 0.16 3.528220226e+02 0.18 3.362724819e+02 0.20 3.204883607e+02 0.22 3.054315141e+02 0.24 2.910663770e+02 0.26 2.773596720e+02 0.28 2.642801626e+02 0.30 2.517984464e+02 0.32 2.398867791e+02 0.34 2.285189253e+02 0.36 2.176700310e+02 0.38 2.073165128e+02 0.40 1.974359633e+02 0.42 1.880070676e+02 0.44 1.790095302e+02 0.46 1.704240106e+02 0.48 1.622320656e+02 0.50 1.544160975e+02 0.52 1.469593075e+02 0.54 1.398456532e+02 0.56 1.330598098e+02 0.58 1.265871339e+02 0.60 1.204136305e+02 0.62 1.145259225e+02 0.64 1.089112211e+02 0.66 1.035572996e+02 0.68 9.845246720e+01 0.70 9.358554547e+01 0.72 8.894584544e+01 0.74 8.452314606e+01 0.76 8.030767372e+01 0.78 7.629008280e+01 0.80 7.246143708e+01 0.82 6.881319209e+01 0.84 6.533717815e+01 0.86 6.202558430e+01 0.88 5.887094282e+01 0.90 5.586611455e+01 0.92 5.300427469e+01 0.94 5.027889937e+01 0.96 4.768375270e+01 0.98 4.521287437e+01 1.00 4.286056784e+01 1.02 4.062138899e+01 1.04 3.849013519e+01 1.06 3.646183498e+01 1.08 3.453173804e+01 1.10 3.269530564e+01 1.12 3.094820154e+01 1.14 2.928628316e+01 1.16 2.770559325e+01 1.18 2.620235181e+01 1.20 2.477294842e+01 1.22 2.341393485e+01 1.24 2.212201799e+01 1.26 2.089405312e+01 1.28 1.972703740e+01 1.30 1.861810370e+01 1.32 1.756451463e+01 1.34 1.656365688e+01 1.36 1.561303579e+01 1.38 1.471027009e+01 1.40 1.385308696e+01 1.42 1.303931722e+01 1.44 1.226689080e+01 1.46 1.153383232e+01 1.48 1.083825693e+01 1.50 1.017836630e+01 1.52 9.552444762e+00 1.54 8.958855683e+00 1.56 8.396037911e+00 1.58 7.862502431e+00 1.60 7.356829154e+00 1.62 6.877663830e+00 1.64 6.423715114e+00 1.66 5.993751744e+00 1.68 5.586599851e+00 1.70 5.201140380e+00 1.72 4.836306629e+00 1.74 4.491081888e+00 1.76 4.164497190e+00 1.78 3.855629150e+00 1.80 3.563597907e+00 1.82 3.287565154e+00 1.84 3.026732251e+00 1.86 2.780338423e+00 1.88 2.547659039e+00 1.90 2.328003967e+00 1.92 2.120715994e+00 1.94 1.925169329e+00 1.96 1.740768158e+00 1.98 1.566945273e+00 2.00 1.403160759e+00 2.02 1.248900737e+00 2.04 1.103676165e+00 2.06 9.670216930e-01 2.08 8.384945651e-01 2.10 7.176735759e-01 2.12 6.041580697e-01 2.14 4.975669858e-01 2.16 3.975379461e-01 2.18 3.037263839e-01 2.20 2.158047115e-01 2.22 1.334615254e-01 2.24 5.640084652e-02 2.26 -1.565860411e-02 2.28 -8.298409858e-02 2.30 -1.458295631e-01 2.32 -2.044362096e-01 2.34 -2.590331389e-01 2.36 -3.098379163e-01 2.38 -3.570571218e-01 2.40 -4.008868749e-01 2.42 -4.415133358e-01 2.44 -4.791131845e-01 2.46 -5.138540772e-01 2.48 -5.458950832e-01 2.50 -5.753871007e-01 2.52 -6.024732555e-01 2.54 -6.272892797e-01 2.56 -6.499638745e-01 2.58 -6.706190566e-01 2.60 -6.893704874e-01 2.62 -7.063277894e-01 2.64 -7.215948459e-01 2.66 -7.352700889e-01 2.68 -7.474467726e-01 2.70 -7.582132348e-01 2.72 -7.676531461e-01 2.74 -7.758457477e-01 2.76 -7.828660781e-01 2.78 -7.887851890e-01 2.80 -7.936703512e-01 2.82 -7.975852507e-01 2.84 -8.005901753e-01 2.86 -8.027421926e-01 2.88 -8.040953189e-01 2.90 -8.047006797e-01 2.92 -8.046066627e-01 2.94 -8.038590627e-01 2.96 -8.025012192e-01 2.98 -8.005741469e-01 3.00 -7.981166595e-01 3.02 -7.951654864e-01 3.04 -7.917553837e-01 3.06 -7.879192389e-01 3.08 -7.836881695e-01 3.10 -7.790916166e-01 3.12 -7.741574325e-01 3.14 -7.689119638e-01 3.16 -7.633801295e-01 3.18 -7.575854942e-01 3.20 -7.515503375e-01 3.22 -7.452957185e-01 3.24 -7.388415374e-01 3.26 -7.322065928e-01 3.28 -7.254086355e-01 3.30 -7.184644196e-01 3.32 -7.113897503e-01 3.34 -7.041995295e-01 3.36 -6.969077976e-01 3.38 -6.895277748e-01 3.40 -6.820718987e-01 3.42 -6.745518609e-01 3.44 -6.669786416e-01 3.46 -6.593625422e-01 3.48 -6.517132174e-01 3.50 -6.440397047e-01 3.52 -6.363503182e-01 3.54 -6.286512029e-01 3.56 -6.209449783e-01 3.58 -6.132307929e-01 3.60 -6.055045197e-01 3.62 -5.977589546e-01 3.64 -5.899840143e-01 3.66 -5.821669346e-01 3.68 -5.742924669e-01 3.70 -5.663430726e-01 3.72 -5.582991157e-01 3.74 -5.501390525e-01 3.76 -5.418396194e-01 3.78 -5.333760178e-01 3.80 -5.247220981e-01 3.82 -5.158505429e-01 3.84 -5.067330499e-01 3.86 -4.973405172e-01 3.88 -4.876432319e-01 3.90 -4.776110645e-01 3.92 -4.672136723e-01 3.94 -4.564207151e-01 3.96 -4.452020874e-01 3.98 -4.335281728e-01 4.00 -4.213701270e-01 4.02 -4.087001971e-01 4.04 -3.954920864e-01 4.06 -3.817213779e-01 4.08 -3.673660290e-01 4.10 -3.524069554e-01 4.12 -3.368287266e-01 4.14 -3.206203978e-01 4.16 -3.037765125e-01 4.18 -2.862983155e-01 4.20 -2.681952304e-01 4.22 -2.494866663e-01 4.24 -2.302042431e-01 4.26 -2.103945491e-01 4.28 -1.901225876e-01 4.30 -1.694761283e-01 4.32 -1.485712728e-01 4.34 -1.275596856e-01 4.36 -1.066381920e-01 4.38 -8.606186710e-02 4.40 -6.616256060e-02 4.42 -4.737648469e-02 4.44 -3.028844548e-02 4.46 -1.571132608e-02 4.48 -4.860523825e-03 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 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