# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Kim-K-H-Jeon-J-B-Lee-B-J--Mg-Sn # implementation = 2015--Kim-K-H--Mg-Sn--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 Mg Sn Sn Sn 0.02 2.888691025e+02 1.180578113e+03 1.882132587e+03 0.04 2.768394410e+02 1.129346137e+03 1.798673714e+03 0.06 2.652922638e+02 1.080247252e+03 1.718762968e+03 0.08 2.542087332e+02 1.033195695e+03 1.642253835e+03 0.10 2.435707309e+02 9.881090330e+02 1.569005722e+03 0.12 2.333608312e+02 9.449080449e+02 1.498883722e+03 0.14 2.235622752e+02 9.035165957e+02 1.431758388e+03 0.16 2.141589451e+02 8.638615229e+02 1.367505518e+03 0.18 2.051353410e+02 8.258725243e+02 1.306005941e+03 0.20 1.964765571e+02 7.894820498e+02 1.247145323e+03 0.22 1.881682595e+02 7.546251977e+02 1.190813967e+03 0.24 1.801966648e+02 7.212396145e+02 1.136906636e+03 0.26 1.725485191e+02 6.892653983e+02 1.085322369e+03 0.28 1.652110786e+02 6.586450061e+02 1.035964310e+03 0.30 1.581720895e+02 6.293231633e+02 9.887395491e+02 0.32 1.514197703e+02 6.012467783e+02 9.435589607e+02 0.34 1.449427935e+02 5.743648586e+02 9.003370528e+02 0.36 1.387302689e+02 5.486284308e+02 8.589918222e+02 0.38 1.327717263e+02 5.239904637e+02 8.194446142e+02 0.40 1.270571005e+02 5.004057933e+02 7.816199888e+02 0.42 1.215767152e+02 4.778310514e+02 7.454455914e+02 0.44 1.163212689e+02 4.562245969e+02 7.108520296e+02 0.46 1.112818202e+02 4.355464489e+02 6.777727535e+02 0.48 1.064497744e+02 4.157582228e+02 6.461439421e+02 0.50 1.018168700e+02 3.968230688e+02 6.159043932e+02 0.52 9.737516680e+01 3.787056125e+02 5.869954185e+02 0.54 9.311703270e+01 3.613718977e+02 5.593607418e+02 0.56 8.903513267e+01 3.447893314e+02 5.329464025e+02 0.58 8.512241718e+01 3.289266312e+02 5.077006616e+02 0.60 8.137211134e+01 3.137537736e+02 4.835739128e+02 0.62 7.777770445e+01 2.992419459e+02 4.605185958e+02 0.64 7.433293991e+01 2.853634981e+02 4.384891141e+02 0.66 7.103180550e+01 2.720918982e+02 4.174417553e+02 0.68 6.786852407e+01 2.594016877e+02 3.973346153e+02 0.70 6.483754453e+01 2.472684406e+02 3.781275246e+02 0.72 6.193353320e+01 2.356687217e+02 3.597819786e+02 0.74 5.915136548e+01 2.245800486e+02 3.422610696e+02 0.76 5.648611785e+01 2.139808538e+02 3.255294226e+02 0.78 5.393306014e+01 2.038504487e+02 3.095531326e+02 0.80 5.148764814e+01 1.941689892e+02 2.942997052e+02 0.82 4.914551640e+01 1.849174418e+02 2.797379989e+02 0.84 4.690247144e+01 1.760775520e+02 2.658381707e+02 0.86 4.475448504e+01 1.676318134e+02 2.525716225e+02 0.88 4.269768798e+01 1.595634377e+02 2.399109511e+02 0.90 4.072836382e+01 1.518563266e+02 2.278298988e+02 0.92 3.884294308e+01 1.444950440e+02 2.163033073e+02 0.94 3.703799754e+01 1.374647899e+02 2.053070724e+02 0.96 3.531023479e+01 1.307513749e+02 1.948181009e+02 0.98 3.365649301e+01 1.243411957e+02 1.848142695e+02 1.00 3.207373587e+01 1.182212120e+02 1.752743851e+02 1.02 3.055904771e+01 1.123789237e+02 1.661781465e+02 1.04 2.910962888e+01 1.068023490e+02 1.575061078e+02 1.06 2.772279122e+01 1.014800043e+02 1.492396437e+02 1.08 2.639595374e+01 9.640088354e+01 1.413609153e+02 1.10 2.512663849e+01 9.155443918e+01 1.338528380e+02 1.12 2.391246652e+01 8.693056379e+01 1.266990508e+02 1.14 2.275115406e+01 8.251957217e+01 1.198838857e+02 1.16 2.164050881e+01 7.831218436e+01 1.133923402e+02 1.18 2.057842639e+01 7.429950921e+01 1.072100487e+02 1.20 1.956288692e+01 7.047302861e+01 1.013232573e+02 1.22 1.859195168e+01 6.682458241e+01 9.571879773e+01 1.24 1.766376004e+01 6.334635379e+01 9.038406349e+01 1.26 1.677652630e+01 6.003085537e+01 8.530698656e+01 1.28 1.592853687e+01 5.687091574e+01 8.047601501e+01 1.30 1.511814735e+01 5.385966659e+01 7.588009168e+01 1.32 1.434377993e+01 5.099053033e+01 7.150863358e+01 1.34 1.360392068e+01 4.825720818e+01 6.735151222e+01 1.36 1.289711712e+01 4.565366877e+01 6.339903470e+01 1.38 1.222197578e+01 4.317413719e+01 5.964192555e+01 1.40 1.157715988e+01 4.081308441e+01 5.607130938e+01 1.42 1.096138711e+01 3.856521720e+01 5.267869413e+01 1.44 1.037342751e+01 3.642546842e+01 4.945595512e+01 1.46 9.812101350e+00 3.438898771e+01 4.639531964e+01 1.48 9.276277210e+00 3.245113251e+01 4.348935227e+01 1.50 8.764870036e+00 3.060745948e+01 4.073094071e+01 1.52 8.276839322e+00 2.885371626e+01 3.811328223e+01 1.54 7.811187344e+00 2.718583357e+01 3.562987069e+01 1.56 7.366957462e+00 2.559991757e+01 3.327448409e+01 1.58 6.943232491e+00 2.409224260e+01 3.104117256e+01 1.60 6.539133130e+00 2.265924417e+01 2.892424694e+01 1.62 6.153816453e+00 2.129751222e+01 2.691826777e+01 1.64 5.786474457e+00 2.000378474e+01 2.501803475e+01 1.66 5.436332667e+00 1.877494150e+01 2.321857663e+01 1.68 5.102648786e+00 1.760799818e+01 2.151514150e+01 1.70 4.784711409e+00 1.650010064e+01 1.990318751e+01 1.72 4.481838775e+00 1.544851945e+01 1.837837397e+01 1.74 4.193377568e+00 1.445064471e+01 1.693655278e+01 1.76 3.918701771e+00 1.350398093e+01 1.557376024e+01 1.78 3.657211552e+00 1.260614228e+01 1.428620921e+01 1.80 3.408332201e+00 1.175484793e+01 1.307028158e+01 1.82 3.171513104e+00 1.094791759e+01 1.192252103e+01 1.84 2.946226756e+00 1.018326733e+01 1.083962617e+01 1.86 2.731967813e+00 9.458905406e+00 9.818443807e+00 1.88 2.528252177e+00 8.772928409e+00 8.855962699e+00 1.90 2.334616120e+00 8.123517480e+00 7.949307389e+00 1.92 2.150615444e+00 7.508934721e+00 7.095732397e+00 1.94 1.975824663e+00 6.927519741e+00 6.292616615e+00 1.96 1.809836231e+00 6.377686344e+00 5.537457947e+00 1.98 1.652259793e+00 5.857919362e+00 4.827868169e+00 2.00 1.502721463e+00 5.366771604e+00 4.161568006e+00 2.02 1.360863140e+00 4.902860948e+00 3.536382412e+00 2.04 1.226341846e+00 4.464867542e+00 2.950236050e+00 2.06 1.098829092e+00 4.051531124e+00 2.401148959e+00 2.08 9.780102733e-01 3.661648455e+00 1.887232406e+00 2.10 8.635840853e-01 3.294070859e+00 1.406684907e+00 2.12 7.552619704e-01 2.947701860e+00 9.577884202e-01 2.14 6.527675849e-01 2.621494927e+00 5.389046984e-01 2.16 5.558362906e-01 2.314451302e+00 1.484717919e-01 2.18 4.642146682e-01 2.025617931e+00 -2.149992981e-01 2.20 3.776600529e-01 1.754085469e+00 -5.529278257e-01 2.22 2.959400908e-01 1.498986378e+00 -8.666663707e-01 2.24 2.188323141e-01 1.259493102e+00 -1.157503780e+00 2.26 1.461237364e-01 1.034816318e+00 -1.426667984e+00 2.28 7.761046545e-02 8.242032602e-01 -1.675328691e+00 2.30 1.309733294e-02 6.269361151e-01 -1.904599973e+00 2.32 -4.760245929e-02 4.423304873e-01 -2.115542736e+00 2.34 -1.046676781e-01 2.697339259e-01 -2.309167086e+00 2.36 -1.582693832e-01 1.085245155e-01 -2.486434598e+00 2.38 -2.085712385e-01 -4.189047310e-02 -2.648260484e+00 2.40 -2.557298102e-01 -1.820758757e-01 -2.795515669e+00 2.42 -2.998948531e-01 -3.125698718e-01 -2.929028780e+00 2.44 -3.412095870e-01 -4.338851696e-01 -3.049588048e+00 2.46 -3.798109610e-01 -5.465101402e-01 -3.157943128e+00 2.48 -4.158299099e-01 -6.509099032e-01 -3.254806846e+00 2.50 -4.493916001e-01 -7.475273662e-01 -3.340856860e+00 2.52 -4.806156680e-01 -8.367842200e-01 -3.416737262e+00 2.54 -5.096164495e-01 -9.190818904e-01 -3.483060101e+00 2.56 -5.365032020e-01 -9.948024495e-01 -3.540406845e+00 2.58 -5.613803190e-01 -1.064309488e+00 -3.589329778e+00 2.60 -5.843475374e-01 -1.127948951e+00 -3.630353341e+00 2.62 -6.055001373e-01 -1.186049934e+00 -3.663975405e+00 2.64 -6.249291357e-01 -1.238925448e+00 -3.690668499e+00 2.66 -6.427214728e-01 -1.286873151e+00 -3.710880976e+00 2.68 -6.589601915e-01 -1.330176050e+00 -3.725038136e+00 2.70 -6.737246107e-01 -1.369103162e+00 -3.733543294e+00 2.72 -6.870904911e-01 -1.403910163e+00 -3.736778803e+00 2.74 -6.991301956e-01 -1.434839995e+00 -3.735107035e+00 2.76 -7.099128419e-01 -1.462123451e+00 -3.728871311e+00 2.78 -7.195044491e-01 -1.485979737e+00 -3.718396801e+00 2.80 -7.279680782e-01 -1.506617006e+00 -3.703991376e+00 2.82 -7.353639656e-01 -1.524232870e+00 -3.685946423e+00 2.84 -7.417496505e-01 -1.539014889e+00 -3.664537631e+00 2.86 -7.471800967e-01 -1.551141040e+00 -3.640025734e+00 2.88 -7.517078074e-01 -1.560780161e+00 -3.612657222e+00 2.90 -7.553829354e-01 -1.568092384e+00 -3.582665028e+00 2.92 -7.582533868e-01 -1.573229537e+00 -3.550269174e+00 2.94 -7.603649197e-01 -1.576335539e+00 -3.515677396e+00 2.96 -7.617612379e-01 -1.577546772e+00 -3.479085735e+00 2.98 -7.624840790e-01 -1.576992437e+00 -3.440679109e+00 3.00 -7.625732990e-01 -1.574794893e+00 -3.400631848e+00 3.02 -7.620669515e-01 -1.571069987e+00 -3.359108221e+00 3.04 -7.610013632e-01 -1.565927360e+00 -3.316262920e+00 3.06 -7.594112057e-01 -1.559470747e+00 -3.272241538e+00 3.08 -7.573295631e-01 -1.551798260e+00 -3.227181019e+00 3.10 -7.547879972e-01 -1.543002658e+00 -3.181210085e+00 3.12 -7.518166083e-01 -1.533171605e+00 -3.134449650e+00 3.14 -7.484440943e-01 -1.522387921e+00 -3.087013207e+00 3.16 -7.446978065e-01 -1.510729812e+00 -3.039007205e+00 3.18 -7.406038028e-01 -1.498271100e+00 -2.990531406e+00 3.20 -7.361868994e-01 -1.485081435e+00 -2.941679222e+00 3.22 -7.314707189e-01 -1.471226502e+00 -2.892538042e+00 3.24 -7.264777381e-01 -1.456768212e+00 -2.843189540e+00 3.26 -7.212293328e-01 -1.441764898e+00 -2.793709971e+00 3.28 -7.157458216e-01 -1.426271484e+00 -2.744170451e+00 3.30 -7.100465074e-01 -1.410339659e+00 -2.694637226e+00 3.32 -7.041497179e-01 -1.394018040e+00 -2.645171928e+00 3.34 -6.980728449e-01 -1.377352324e+00 -2.595831817e+00 3.36 -6.918323818e-01 -1.360385438e+00 -2.546670016e+00 3.38 -6.854439601e-01 -1.343157678e+00 -2.497735731e+00 3.40 -6.789223844e-01 -1.325706844e+00 -2.449074458e+00 3.42 -6.722816670e-01 -1.308068367e+00 -2.400728190e+00 3.44 -6.655350607e-01 -1.290275434e+00 -2.352735604e+00 3.46 -6.586950905e-01 -1.272359098e+00 -2.305132246e+00 3.48 -6.517735853e-01 -1.254348394e+00 -2.257950700e+00 3.50 -6.447817070e-01 -1.236270444e+00 -2.211220756e+00 3.52 -6.377299805e-01 -1.218150554e+00 -2.164969569e+00 3.54 -6.306283208e-01 -1.200012314e+00 -2.119221803e+00 3.56 -6.234860610e-01 -1.181877685e+00 -2.073999777e+00 3.58 -6.163119781e-01 -1.163767090e+00 -2.029323599e+00 3.60 -6.091143188e-01 -1.145699493e+00 -1.985211295e+00 3.62 -6.019008235e-01 -1.127692481e+00 -1.941678931e+00 3.64 -5.946787505e-01 -1.109762335e+00 -1.898740729e+00 3.66 -5.874548987e-01 -1.091924106e+00 -1.856409176e+00 3.68 -5.802356295e-01 -1.074191678e+00 -1.814695133e+00 3.70 -5.730268882e-01 -1.056577836e+00 -1.773607930e+00 3.72 -5.658342243e-01 -1.039094326e+00 -1.733155464e+00 3.74 -5.586628114e-01 -1.021751912e+00 -1.693344286e+00 3.76 -5.515174658e-01 -1.004560436e+00 -1.654179688e+00 3.78 -5.444026649e-01 -9.875288661e-01 -1.615665786e+00 3.80 -5.373225645e-01 -9.706653477e-01 -1.577805591e+00 3.82 -5.302810154e-01 -9.539772528e-01 -1.540601088e+00 3.84 -5.232815799e-01 -9.374712239e-01 -1.504053301e+00 3.86 -5.163275464e-01 -9.211532176e-01 -1.468162361e+00 3.88 -5.094219447e-01 -9.050285451e-01 -1.432927565e+00 3.90 -5.025675596e-01 -8.891019111e-01 -1.398347438e+00 3.92 -4.957669445e-01 -8.733774507e-01 -1.364419787e+00 3.94 -4.890224342e-01 -8.578587643e-01 -1.331141753e+00 3.96 -4.823361570e-01 -8.425489508e-01 -1.298509863e+00 3.98 -4.757100464e-01 -8.274506391e-01 -1.266520075e+00 4.00 -4.691458520e-01 -8.125660177e-01 -1.235167824e+00 4.02 -4.626451504e-01 -7.978968634e-01 -1.204448062e+00 4.04 -4.562093547e-01 -7.834445677e-01 -1.174355302e+00 4.06 -4.498397247e-01 -7.692101626e-01 -1.144883651e+00 4.08 -4.435373752e-01 -7.551943443e-01 -1.116026848e+00 4.10 -4.373032853e-01 -7.413974964e-01 -1.087778296e+00 4.12 -4.311383061e-01 -7.278197111e-01 -1.060131097e+00 4.14 -4.250431687e-01 -7.144608101e-01 -1.033078075e+00 4.16 -4.190184914e-01 -7.013203635e-01 -1.006611814e+00 4.18 -4.130647868e-01 -6.883977082e-01 -9.807246723e-01 4.20 -4.071824683e-01 -6.756919657e-01 -9.554088187e-01 4.22 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