# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Wilson-S-R-Mendelev-M-I--fictional-Mg # implementation = 2016--Wilson-S-R--fictional-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 2022-05-24 r Mg Mg 0.02 3.993586610e+13 0.04 1.493586610e+13 0.06 6.602532770e+12 0.08 2.435866103e+12 0.10 -4.473536881e+10 0.12 8.090330427e+03 0.14 6.268870654e+03 0.16 4.977147046e+03 0.18 4.026577552e+03 0.20 3.306734472e+03 0.22 2.749055426e+03 0.24 2.308936153e+03 0.26 1.956230387e+03 0.28 1.669907267e+03 0.30 1.434898370e+03 0.32 1.240159588e+03 0.34 1.077437365e+03 0.36 9.404590646e+02 0.38 8.243873164e+02 0.40 7.254435074e+02 0.42 6.406425081e+02 0.44 5.676022590e+02 0.46 5.044048031e+02 0.48 4.494933425e+02 0.50 4.015949543e+02 0.52 3.596618665e+02 0.54 3.228263478e+02 0.56 2.903657115e+02 0.58 2.616749210e+02 0.60 2.362449689e+02 0.62 2.136456849e+02 0.64 1.935119700e+02 0.66 1.755327038e+02 0.68 1.594417532e+02 0.70 1.450106443e+02 0.72 1.320425588e+02 0.74 1.203673926e+02 0.76 1.098376693e+02 0.78 1.003251474e+02 0.80 9.171799167e+01 0.82 8.391840568e+01 0.84 7.684064336e+01 0.86 7.040933323e+01 0.88 6.455806135e+01 0.90 5.922816919e+01 0.92 5.436773093e+01 0.94 4.993068061e+01 0.96 4.587606532e+01 0.98 4.216740435e+01 1.00 3.877213781e+01 1.02 3.566207852e+01 1.04 3.281227987e+01 1.06 3.019950060e+01 1.08 2.780271413e+01 1.10 2.560288342e+01 1.12 2.358276012e+01 1.14 2.172670536e+01 1.16 2.002052958e+01 1.18 1.845134943e+01 1.20 1.700745956e+01 1.22 1.567821795e+01 1.24 1.445394302e+01 1.26 1.332582139e+01 1.28 1.228582501e+01 1.30 1.132663682e+01 1.32 1.044158373e+01 1.34 9.624576495e+00 1.36 8.870055419e+00 1.38 8.172941522e+00 1.40 7.528592442e+00 1.42 6.932762656e+00 1.44 6.381567543e+00 1.46 5.871450905e+00 1.48 5.399155590e+00 1.50 4.961696899e+00 1.52 4.556338503e+00 1.54 4.180570616e+00 1.56 3.832090193e+00 1.58 3.508782972e+00 1.60 3.208707151e+00 1.62 2.930078570e+00 1.64 2.671257234e+00 1.66 2.430735049e+00 1.68 2.207124664e+00 1.70 1.999149309e+00 1.72 1.805633536e+00 1.74 1.625494771e+00 1.76 1.457735622e+00 1.78 1.301436845e+00 1.80 1.155750934e+00 1.82 1.019896258e+00 1.84 8.931517115e-01 1.86 7.748518175e-01 1.88 6.643822539e-01 1.90 5.611757599e-01 1.92 4.647083899e-01 1.94 3.744960839e-01 1.96 2.900915289e-01 1.98 2.110812810e-01 2.00 1.370831310e-01 2.02 6.774368882e-02 2.04 2.736168258e-03 2.06 -5.824164395e-02 2.08 -1.154692531e-01 2.10 -1.692051654e-01 2.12 -2.196884620e-01 2.14 -2.671402400e-01 2.16 -3.117649411e-01 2.18 -3.537515728e-01 2.20 -3.932748319e-01 2.22 -4.304961406e-01 2.24 -4.655646016e-01 2.26 -4.986178809e-01 2.28 -5.297830255e-01 2.30 -5.591772139e-01 2.32 -5.869084615e-01 2.34 -6.130762702e-01 2.36 -6.377722336e-01 2.38 -6.610806009e-01 2.40 -6.830788122e-01 2.42 -7.037070132e-01 2.44 -7.229214817e-01 2.46 -7.408214729e-01 2.48 -7.575069593e-01 2.50 -7.730759163e-01 2.52 -7.876220990e-01 2.54 -8.012332700e-01 2.56 -8.139898387e-01 2.58 -8.259638745e-01 2.60 -8.372184581e-01 2.62 -8.478073365e-01 2.64 -8.577748514e-01 2.66 -8.671560959e-01 2.68 -8.759772697e-01 2.70 -8.842562403e-01 2.72 -8.920032550e-01 2.74 -8.992217122e-01 2.76 -9.059090988e-01 2.78 -9.120580290e-01 2.80 -9.176571830e-01 2.82 -9.226924680e-01 2.84 -9.271477148e-01 2.86 -9.310054335e-01 2.88 -9.342478768e-01 2.90 -9.368579275e-01 2.92 -9.388201689e-01 2.94 -9.401212635e-01 2.96 -9.407505895e-01 2.98 -9.407007683e-01 3.00 -9.399683594e-01 3.02 -9.385543751e-01 3.04 -9.364641780e-01 3.06 -9.337077573e-01 3.08 -9.302994452e-01 3.10 -9.262583729e-01 3.12 -9.216082564e-01 3.14 -9.163771010e-01 3.16 -9.105973711e-01 3.18 -9.043052134e-01 3.20 -8.975401683e-01 3.22 -8.903449526e-01 3.24 -8.827643830e-01 3.26 -8.748449482e-01 3.28 -8.666344145e-01 3.30 -8.581806467e-01 3.32 -8.495308448e-01 3.34 -8.407308837e-01 3.36 -8.318239934e-01 3.38 -8.228494774e-01 3.40 -8.138426778e-01 3.42 -8.048343997e-01 3.44 -7.958500184e-01 3.46 -7.869088474e-01 3.48 -7.780246067e-01 3.50 -7.692052688e-01 3.52 -7.604528815e-01 3.54 -7.517635330e-01 3.56 -7.431289023e-01 3.58 -7.345370879e-01 3.60 -7.259738354e-01 3.62 -7.174234113e-01 3.64 -7.088713608e-01 3.66 -7.003073969e-01 3.68 -6.917282775e-01 3.70 -6.831413181e-01 3.72 -6.745665740e-01 3.74 -6.660307122e-01 3.76 -6.575581780e-01 3.78 -6.491702661e-01 3.80 -6.408853422e-01 3.82 -6.327188129e-01 3.84 -6.246821123e-01 3.86 -6.167849244e-01 3.88 -6.090350080e-01 3.90 -6.014382072e-01 3.92 -5.939986139e-01 3.94 -5.867187226e-01 3.96 -5.795980935e-01 3.98 -5.726344769e-01 4.00 -5.658256483e-01 4.02 -5.591684572e-01 4.04 -5.526589406e-01 4.06 -5.462924309e-01 4.08 -5.400636589e-01 4.10 -5.339662933e-01 4.12 -5.279901627e-01 4.14 -5.221274088e-01 4.16 -5.163706817e-01 4.18 -5.107125615e-01 4.20 -5.051456225e-01 4.22 -4.996624928e-01 4.24 -4.942559104e-01 4.26 -4.889187755e-01 4.28 -4.836422609e-01 4.30 -4.784107756e-01 4.32 -4.732171195e-01 4.34 -4.680556006e-01 4.36 -4.629209016e-01 4.38 -4.578081089e-01 4.40 -4.527127377e-01 4.42 -4.476307545e-01 4.44 -4.425585963e-01 4.46 -4.374931868e-01 4.48 -4.324319504e-01 4.50 -4.273338508e-01 4.52 -4.221245783e-01 4.54 -4.168307278e-01 4.56 -4.114802783e-01 4.58 -4.060988503e-01 4.60 -4.007099047e-01 4.62 -3.953349227e-01 4.64 -3.899935670e-01 4.66 -3.847038268e-01 4.68 -3.794821475e-01 4.70 -3.743435458e-01 4.72 -3.693017039e-01 4.74 -3.643689579e-01 4.76 -3.595565190e-01 4.78 -3.549567422e-01 4.80 -3.505772697e-01 4.82 -3.463362791e-01 4.84 -3.421624211e-01 4.86 -3.379940995e-01 4.88 -3.337787704e-01 4.90 -3.294722635e-01 4.92 -3.250381238e-01 4.94 -3.204469768e-01 4.96 -3.156759157e-01 4.98 -3.107079126e-01 5.00 -3.055312526e-01 5.02 -3.001389924e-01 5.04 -2.945284433e-01 5.06 -2.887006779e-01 5.08 -2.826600614e-01 5.10 -2.764138078e-01 5.12 -2.699715592e-01 5.14 -2.633449905e-01 5.16 -2.565474371e-01 5.18 -2.495701998e-01 5.20 -2.424212690e-01 5.22 -2.351557031e-01 5.24 -2.278227230e-01 5.26 -2.204657770e-01 5.28 -2.131229594e-01 5.30 -2.058274060e-01 5.32 -1.986076773e-01 5.34 -1.914882266e-01 5.36 -1.844898590e-01 5.38 -1.776300699e-01 5.40 -1.709233488e-01 5.42 -1.643814595e-01 5.44 -1.580136991e-01 5.46 -1.518271384e-01 5.48 -1.458268438e-01 5.50 -1.400160831e-01 5.52 -1.343965178e-01 5.54 -1.289683808e-01 5.56 -1.237306435e-01 5.58 -1.186811716e-01 5.60 -1.138168716e-01 5.62 -1.091338288e-01 5.64 -1.046274381e-01 5.66 -1.002925283e-01 5.68 -9.612348034e-02 5.70 -9.211434137e-02 5.72 -8.825893417e-02 5.74 -8.455096343e-02 5.76 -8.098411928e-02 5.78 -7.755217854e-02 5.80 -7.424910437e-02 5.82 -7.106914483e-02 5.84 -6.800693074e-02 5.86 -6.505757333e-02 5.88 -6.221676196e-02 5.90 -5.948086250e-02 5.92 -5.684701643e-02 5.94 -5.431324115e-02 5.96 -5.187853170e-02 5.98 -4.954296416e-02 6.00 -4.730780095e-02 6.02 -4.517544787e-02 6.04 -4.314793963e-02 6.06 -4.122554521e-02 6.08 -3.940692336e-02 6.10 -3.768940510e-02 6.12 -3.606925032e-02 6.14 -3.454187980e-02 6.16 -3.310208414e-02 6.18 -3.174421067e-02 6.20 -3.046232988e-02 6.22 -2.925037955e-02 6.24 -2.810226156e-02 6.26 -2.701192211e-02 6.28 -2.597344550e-02 6.30 -2.498113607e-02 6.32 -2.402958627e-02 6.34 -2.311373201e-02 6.36 -2.222889624e-02 6.38 -2.137082171e-02 6.40 -2.053569380e-02 6.42 -1.972015436e-02 6.44 -1.892130740e-02 6.46 -1.813671745e-02 6.48 -1.736440139e-02 6.50 -1.660281448e-02 6.52 -1.585083139e-02 6.54 -1.510772286e-02 6.56 -1.437312869e-02 6.58 -1.364702766e-02 6.60 -1.292970508e-02 6.62 -1.222171837e-02 6.64 -1.152386142e-02 6.66 -1.083712809e-02 6.68 -1.016267535e-02 6.70 -9.501786590e-03 6.72 -8.855835433e-03 6.74 -8.226250466e-03 6.76 -7.614481261e-03 6.78 -7.021966001e-03 6.80 -6.450100993e-03 6.82 -5.900212357e-03 6.84 -5.373530109e-03 6.86 -4.871164845e-03 6.88 -4.394087211e-03 6.90 -3.943110279e-03 6.92 -3.518874967e-03 6.94 -3.121838570e-03 6.96 -2.752266457e-03 6.98 -2.410226964e-03 7.00 -2.095589462e-03 7.02 -1.808025567e-03 7.04 -1.547013433e-03 7.06 -1.311845013e-03 7.08 -1.101636167e-03 7.10 -9.153394599e-04 7.12 -7.517594531e-04 7.14 -6.095702798e-04 7.16 -4.873352433e-04 7.18 -3.835281663e-04 7.20 -2.965561784e-04 7.22 -2.247836015e-04 7.24 -1.665565639e-04 7.26 -1.202279413e-04 7.28 -8.418219583e-05 7.30 -5.685965117e-05 7.32 -3.677971352e-05 7.34 -2.256251778e-05 7.36 -1.294844763e-05 7.38 -6.814948651e-06 7.40 -3.190023222e-06 7.42 -1.261765919e-06 7.44 -3.832680495e-07 7.46 -7.218977844e-08 7.48 -4.268255813e-09 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