# Diatom energy (eV) vs. radial distance (Angstrom).
# potential = 2021--Nitol-M-S-Mun-S-Dickel-D-E-Barrett-C-D--Mg
# implementation = 2021--Nitol-M-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 2023-09-07

r    Mg Mg            
0.02  nan             
0.04  nan             
0.06  nan             
0.08  nan             
0.10 -7.358994628e+05 
0.12 -6.578098282e+05 
0.14 -5.782230194e+05 
0.16 -5.137851063e+05 
0.18 -4.559697775e+05 
0.20 -4.040993216e+05 
0.22 -3.580734949e+05 
0.24 -3.171346409e+05 
0.26 -2.807310045e+05 
0.28 -2.483693290e+05 
0.30 -2.196209982e+05 
0.32 -1.940978631e+05 
0.34 -1.714424281e+05 
0.36 -1.513399967e+05 
0.38 -1.335059535e+05 
0.40 -1.176925625e+05 
0.42 -1.036752182e+05 
0.44 -9.125502528e+04 
0.46 -8.025429467e+04 
0.48 -7.051518181e+04 
0.50 -6.189713754e+04 
0.52 -5.427474501e+04 
0.54 -4.753649397e+04 
0.56 -4.158297649e+04 
0.58 -3.632593405e+04 
0.60 -3.168671429e+04 
0.62 -2.759540658e+04 
0.64 -2.398981190e+04 
0.66 -2.081465017e+04 
0.68 -1.802078637e+04 
0.70 -1.557471540e+04 
0.72 -1.375525020e+04 
0.74 -1.214125711e+04 
0.76 -1.070996727e+04 
0.78 -9.441112213e+03 
0.80 -8.316644678e+03 
0.82 -7.320493257e+03 
0.84 -6.438350889e+03 
0.86 -5.657482226e+03 
0.88 -4.966551301e+03 
0.90 -4.355470935e+03 
0.92 -3.815265215e+03 
0.94 -3.337950258e+03 
0.96 -2.916424202e+03 
0.98 -2.544371895e+03 
1.00 -2.216178368e+03 
1.02 -1.926852566e+03 
1.04 -1.671958895e+03 
1.06 -1.447556203e+03 
1.08 -1.250145069e+03 
1.10 -1.076630332e+03 
1.12 -9.243313641e+02 
1.14 -7.910502745e+02 
1.16 -6.748982410e+02 
1.18 -5.737611636e+02 
1.20 -4.854884973e+02 
1.22 -4.083364823e+02 
1.24 -3.409386613e+02 
1.26 -2.822955577e+02 
1.28 -2.323295283e+02 
1.30 -1.920494769e+02 
1.32 -1.599291440e+02 
1.34 -1.330464460e+02 
1.36 -1.102542985e+02 
1.38 -9.125867460e+01 
1.40 -7.556522489e+01 
1.42 -6.240073955e+01 
1.44 -5.111791928e+01 
1.46 -4.130102169e+01 
1.48 -3.268492622e+01 
1.50 -2.509520490e+01 
1.52 -1.842443448e+01 
1.54 -1.261796190e+01 
1.56 -7.652952601e+00 
1.58 -3.510821526e+00 
1.60 -1.607283654e-01 
1.62  2.432381452e+00 
1.64  4.295635069e+00 
1.66  5.469778756e+00 
1.68  6.058193260e+00 
1.70  6.234217956e+00 
1.72  6.179892533e+00 
1.74  6.022898746e+00 
1.76  5.823173098e+00 
1.78  5.597797002e+00 
1.80  5.351513503e+00 
1.82  5.092181207e+00 
1.84  4.831105727e+00 
1.86  4.578329257e+00 
1.88  4.339778512e+00 
1.90  4.117249141e+00 
1.92  3.909785953e+00 
1.94  3.715190167e+00 
1.96  3.531099985e+00 
1.98  3.355563673e+00 
2.00  3.187222567e+00 
2.02  3.025263624e+00 
2.04  2.869274283e+00 
2.06  2.719085423e+00 
2.08  2.574644549e+00 
2.10  2.435931251e+00 
2.12  2.302910542e+00 
2.14  2.175513609e+00 
2.16  2.053635356e+00 
2.18  1.937140366e+00 
2.20  1.825871847e+00 
2.22  1.719660370e+00 
2.24  1.618331029e+00 
2.26  1.521708553e+00 
2.28  1.429620561e+00 
2.30  1.341899277e+00 
2.32  1.258382164e+00 
2.34  1.178911846e+00 
2.36  1.103335608e+00 
2.38  1.031504739e+00 
2.40  9.632738125e-01 
2.42  8.985000611e-01 
2.44  8.370428597e-01 
2.46  7.787633802e-01 
2.48  7.235244169e-01 
2.50  6.711903943e-01 
2.52  6.216275585e-01 
2.54  5.747043360e-01 
2.56  5.302918508e-01 
2.58  4.882645581e-01 
2.60  4.485009698e-01 
2.62  4.108844132e-01 
2.64  3.753037735e-01 
2.66  3.416541588e-01 
2.68  3.098374299e-01 
2.70  2.797625483e-01 
2.72  2.513456981e-01 
2.74  2.245101637e-01 
2.76  1.991859510e-01 
2.78  1.753091712e-01 
2.80  1.528212160e-01 
2.82  1.316677761e-01 
2.84  1.117977662e-01 
2.86  9.316222899e-02 
2.88  7.571329815e-02 
2.90  5.940329208e-02 
2.92  4.418400686e-02 
2.94  3.000625488e-02 
2.96  1.681968090e-02 
2.98  4.572857456e-03 
3.00 -6.786360171e-03 
3.02 -1.731026535e-02 
3.04 -2.705058187e-02 
3.06 -3.605767184e-02 
3.08 -4.437975100e-02 
3.10 -5.206218545e-02 
3.12 -5.914693377e-02 
3.14 -6.567217700e-02 
3.16 -7.167215901e-02 
3.18 -7.717723606e-02 
3.20 -8.221411551e-02 
3.22 -8.680626874e-02 
3.24 -9.097449519e-02 
3.26 -9.473748362e-02 
3.28 -9.811235401e-02 
3.30 -1.011151693e-01 
3.32 -1.037613855e-01 
3.34 -1.060662192e-01 
3.36 -1.080449219e-01 
3.38 -1.097129598e-01 
3.40 -1.110861050e-01 
3.42 -1.121804494e-01 
3.44 -1.130123562e-01 
3.46 -1.135983639e-01 
3.48 -1.139550585e-01 
3.50 -1.140989291e-01 
3.52 -1.140462172e-01 
3.54 -1.138127713e-01 
3.56 -1.134139130e-01 
3.58 -1.128643206e-01 
3.60 -1.121779326e-01 
3.62 -1.113678730e-01 
3.64 -1.104463982e-01 
3.66 -1.094248646e-01 
3.68 -1.083137151e-01 
3.70 -1.071224829e-01 
3.72 -1.058598091e-01 
3.74 -1.045334734e-01 
3.76 -1.031504333e-01 
3.78 -1.017168717e-01 
3.80 -1.002382497e-01 
3.82 -9.871936245e-02 
3.84 -9.716439761e-02 
3.86 -9.557699449e-02 
3.88 -9.396030246e-02 
3.90 -9.231703837e-02 
3.92 -9.064954182e-02 
3.94 -8.895982800e-02 
3.96 -8.724963766e-02 
3.98 -8.552048387e-02 
4.00 -8.377369545e-02 
4.02 -8.201045709e-02 
4.04 -8.023184592e-02 
4.06 -7.843886478e-02 
4.08 -7.663247212e-02 
4.10 -7.481360867e-02 
4.12 -7.298322097e-02 
4.14 -7.114228189e-02 
4.16 -6.929180829e-02 
4.18 -6.743287588e-02 
4.20 -6.556663148e-02 
4.22 -6.369430268e-02 
4.24 -6.181720518e-02 
4.26 -5.993674770e-02 
4.28 -5.805443481e-02 
4.30 -5.617186746e-02 
4.32 -5.429074160e-02 
4.34 -5.241284475e-02 
4.36 -5.054005063e-02 
4.38 -4.867431208e-02 
4.40 -4.681765207e-02 
4.42 -4.497215309e-02 
4.44 -4.313994488e-02 
4.46 -4.132319068e-02 
4.48 -3.952407188e-02 
4.50 -3.774477146e-02 
4.52 -3.598745602e-02 
4.54 -3.425425674e-02 
4.56 -3.254724928e-02 
4.58 -3.086843278e-02 
4.60 -2.921970816e-02 
4.62 -2.760285585e-02 
4.64 -2.601951313e-02 
4.66 -2.447115134e-02 
4.68 -2.295905313e-02 
4.70 -2.148429007e-02 
4.72 -2.004770071e-02 
4.74 -1.864986961e-02 
4.76 -1.729110735e-02 
4.78 -1.597143208e-02 
4.80 -1.469055263e-02 
4.82 -1.344785379e-02 
4.84 -1.224238381e-02 
4.86 -1.107284456e-02 
4.88 -9.937584632e-03 
4.90 -8.834595668e-03 
4.92 -7.761512165e-03 
4.94 -6.715615055e-03 
4.96 -5.693839260e-03 
4.98 -4.692785437e-03 
5.00 -3.708736081e-03 
5.02 -2.737676111e-03 
5.04 -1.775318013e-03 
5.06 -8.171315982e-04 
5.08  1.416216686e-04 
5.10  1.105849826e-03 
5.12  2.080587205e-03 
5.14  3.070947036e-03 
5.16  4.082070152e-03 
5.18  5.119070093e-03 
5.20  6.186975027e-03 
5.22  7.290666926e-03 
5.24  8.434818530e-03 
5.26  9.623828677e-03 
5.28  1.086175663e-02 
5.30  1.215225612e-02 
5.32  1.349850976e-02 
5.34  1.490316476e-02 
5.36  1.636827057e-02 
5.38  1.789521941e-02 
5.40  1.948469045e-02 
5.42  2.113659859e-02 
5.44  2.285004854e-02 
5.46  2.462329512e-02 
5.48  2.645371054e-02 
5.50  2.833775938e-02 
5.52  3.027098203e-02 
5.54  3.224798718e-02 
5.56  3.426245383e-02 
5.58  3.630714358e-02 
5.60  3.837392324e-02 
5.62  4.045379840e-02 
5.64  4.253695799e-02 
5.66  4.461283007e-02 
5.68  4.667014891e-02 
5.70  4.869703338e-02 
5.72  5.068107658e-02 
5.74  5.260944678e-02 
5.76  5.446899939e-02 
5.78  5.624640017e-02 
5.80  5.792825949e-02 
5.82  5.950127792e-02 
5.84  6.095240327e-02 
5.86  6.226899958e-02 
5.88  6.343902865e-02 
5.90  6.445124494e-02 
5.92  6.529540501e-02 
5.94  6.596249289e-02 
5.96  6.644496300e-02 
5.98  6.673700265e-02 
6.00  6.683481605e-02 
6.02  6.683481605e-02 
6.04  6.683481605e-02 
6.06  6.683481605e-02 
6.08  6.683481605e-02 
6.10  6.683481605e-02 
6.12  6.683481605e-02 
6.14  6.683481605e-02 
6.16  6.683481605e-02 
6.18  6.683481605e-02 
6.20  6.683481605e-02 
6.22  6.683481605e-02 
6.24  6.683481605e-02 
6.26  6.683481605e-02 
6.28  6.683481605e-02 
6.30  6.683481605e-02 
6.32  6.683481605e-02 
6.34  6.683481605e-02 
6.36  6.683481605e-02 
6.38  6.683481605e-02 
6.40  6.683481605e-02 
6.42  6.683481605e-02 
6.44  6.683481605e-02 
6.46  6.683481605e-02 
6.48  6.683481605e-02 
6.50  6.683481605e-02 
6.52  6.683481605e-02 
6.54  6.683481605e-02 
6.56  6.683481605e-02 
6.58  6.683481605e-02 
6.60  6.683481605e-02 
6.62  6.683481605e-02 
6.64  6.683481605e-02 
6.66  6.683481605e-02 
6.68  6.683481605e-02 
6.70  6.683481605e-02 
6.72  6.683481605e-02 
6.74  6.683481605e-02 
6.76  6.683481605e-02 
6.78  6.683481605e-02 
6.80  6.683481605e-02 
6.82  6.683481605e-02 
6.84  6.683481605e-02 
6.86  6.683481605e-02 
6.88  6.683481605e-02 
6.90  6.683481605e-02 
6.92  6.683481605e-02 
6.94  6.683481605e-02 
6.96  6.683481605e-02 
6.98  6.683481605e-02 
7.00  6.683481605e-02 
7.02  6.683481605e-02 
7.04  6.683481605e-02 
7.06  6.683481605e-02 
7.08  6.683481605e-02 
7.10  6.683481605e-02 
7.12  6.683481605e-02 
7.14  6.683481605e-02 
7.16  6.683481605e-02 
7.18  6.683481605e-02 
7.20  6.683481605e-02 
7.22  6.683481605e-02 
7.24  6.683481605e-02 
7.26  6.683481605e-02 
7.28  6.683481605e-02 
7.30  6.683481605e-02 
7.32  6.683481605e-02 
7.34  6.683481605e-02 
7.36  6.683481605e-02 
7.38  6.683481605e-02 
7.40  6.683481605e-02 
7.42  6.683481605e-02 
7.44  6.683481605e-02 
7.46  6.683481605e-02 
7.48  6.683481605e-02 
7.50  6.683481605e-02 
7.52  6.683481605e-02 
7.54  6.683481605e-02 
7.56  6.683481605e-02 
7.58  6.683481605e-02 
7.60  6.683481605e-02 
7.62  6.683481605e-02 
7.64  6.683481605e-02 
7.66  6.683481605e-02 
7.68  6.683481605e-02 
7.70  6.683481605e-02 
7.72  6.683481605e-02 
7.74  6.683481605e-02 
7.76  6.683481605e-02 
7.78  6.683481605e-02 
7.80  6.683481605e-02 
7.82  6.683481605e-02 
7.84  6.683481605e-02 
7.86  6.683481605e-02 
7.88  6.683481605e-02 
7.90  6.683481605e-02 
7.92  6.683481605e-02 
7.94  6.683481605e-02 
7.96  6.683481605e-02 
7.98  6.683481605e-02 
8.00  6.683481605e-02 
8.02  6.683481605e-02 
8.04  6.683481605e-02 
8.06  6.683481605e-02 
8.08  6.683481605e-02 
8.10  6.683481605e-02 
8.12  6.683481605e-02 
8.14  6.683481605e-02 
8.16  6.683481605e-02 
8.18  6.683481605e-02 
8.20  6.683481605e-02 
8.22  6.683481605e-02 
8.24  6.683481605e-02 
8.26  6.683481605e-02 
8.28  6.683481605e-02 
8.30  6.683481605e-02 
8.32  6.683481605e-02 
8.34  6.683481605e-02 
8.36  6.683481605e-02 
8.38  6.683481605e-02 
8.40  6.683481605e-02 
8.42  6.683481605e-02 
8.44  6.683481605e-02 
8.46  6.683481605e-02 
8.48  6.683481605e-02 
8.50  6.683481605e-02 
8.52  6.683481605e-02 
8.54  6.683481605e-02 
8.56  6.683481605e-02 
8.58  6.683481605e-02 
8.60  6.683481605e-02 
8.62  6.683481605e-02 
8.64  6.683481605e-02 
8.66  6.683481605e-02 
8.68  6.683481605e-02 
8.70  6.683481605e-02 
8.72  6.683481605e-02 
8.74  6.683481605e-02 
8.76  6.683481605e-02 
8.78  6.683481605e-02 
8.80  6.683481605e-02 
8.82  6.683481605e-02 
8.84  6.683481605e-02 
8.86  6.683481605e-02 
8.88  6.683481605e-02 
8.90  6.683481605e-02 
8.92  6.683481605e-02 
8.94  6.683481605e-02 
8.96  6.683481605e-02 
8.98  6.683481605e-02 
9.00  6.683481605e-02 
9.02  6.683481605e-02 
9.04  6.683481605e-02 
9.06  6.683481605e-02 
9.08  6.683481605e-02 
9.10  6.683481605e-02 
9.12  6.683481605e-02 
9.14  6.683481605e-02 
9.16  6.683481605e-02 
9.18  6.683481605e-02 
9.20  6.683481605e-02 
9.22  6.683481605e-02 
9.24  6.683481605e-02 
9.26  6.683481605e-02 
9.28  6.683481605e-02 
9.30  6.683481605e-02 
9.32  6.683481605e-02 
9.34  6.683481605e-02 
9.36  6.683481605e-02 
9.38  6.683481605e-02 
9.40  6.683481605e-02 
9.42  6.683481605e-02 
9.44  6.683481605e-02 
9.46  6.683481605e-02 
9.48  6.683481605e-02 
9.50  6.683481605e-02 
9.52  6.683481605e-02 
9.54  6.683481605e-02 
9.56  6.683481605e-02 
9.58  6.683481605e-02 
9.60  6.683481605e-02 
9.62  6.683481605e-02 
9.64  6.683481605e-02 
9.66  6.683481605e-02 
9.68  6.683481605e-02 
9.70  6.683481605e-02 
9.72  6.683481605e-02 
9.74  6.683481605e-02 
9.76  6.683481605e-02 
9.78  6.683481605e-02 
9.80  6.683481605e-02 
9.82  6.683481605e-02 
9.84  6.683481605e-02 
9.86  6.683481605e-02 
9.88  6.683481605e-02 
9.90  6.683481605e-02 
9.92  6.683481605e-02 
9.94  6.683481605e-02 
9.96  6.683481605e-02 
9.98  6.683481605e-02 
10.00  6.683481605e-02