# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Tseplyaev-V-I-Starikov-S-V--U-N # implementation = 2016--Tseplyaev-V-I--U-N--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 N N N U U U 0.02 1.805262002e+03 1.133459343e+02 5.110701406e+07 0.04 1.679130371e+03 1.081629314e+02 4.347653125e+07 0.06 1.561702476e+03 1.031895797e+02 3.698530901e+07 0.08 1.452378158e+03 9.841742740e+01 3.146325225e+07 0.10 1.350598723e+03 9.383836409e+01 2.676566128e+07 0.12 1.255844075e+03 8.944460739e+01 2.276944001e+07 0.14 1.167630038e+03 8.522868967e+01 1.936987056e+07 0.16 1.085505810e+03 8.118344553e+01 1.647787033e+07 0.18 1.009051801e+03 7.730199970e+01 1.401765730e+07 0.20 9.378773437e+02 7.357775530e+01 1.192476404e+07 0.22 8.716187721e+02 7.000438263e+01 1.014434822e+07 0.24 8.099375290e+02 6.657580842e+01 8.629755620e+06 0.26 7.525184082e+02 6.328620547e+01 7.341297752e+06 0.28 6.990679755e+02 6.012998272e+01 6.245211815e+06 0.30 6.493130750e+02 5.710177565e+01 5.312775932e+06 0.32 6.029993703e+02 5.419643712e+01 4.519556486e+06 0.34 5.598900755e+02 5.140902848e+01 3.844767887e+06 0.36 5.197647470e+02 4.873481112e+01 3.270727934e+06 0.38 4.824181594e+02 4.616923831e+01 2.782394454e+06 0.40 4.476592202e+02 4.370794736e+01 2.366971130e+06 0.42 4.153100284e+02 4.134675205e+01 2.013572181e+06 0.44 3.852048771e+02 3.908163544e+01 1.712937117e+06 0.46 3.571895522e+02 3.690874288e+01 1.457188077e+06 0.48 3.311204057e+02 3.482437536e+01 1.239623398e+06 0.50 3.068638067e+02 3.282498314e+01 1.054542002e+06 0.52 2.842953342e+02 3.090715949e+01 8.970940044e+05 0.54 2.632991494e+02 2.906763491e+01 7.631536273e+05 0.56 2.437674031e+02 2.730327140e+01 6.492110887e+05 0.58 2.255996080e+02 2.561105705e+01 5.522806307e+05 0.60 2.087022274e+02 2.398810085e+01 4.698222810e+05 0.62 1.929881080e+02 2.243162769e+01 3.996752957e+05 0.64 1.783760854e+02 2.093897358e+01 3.400015389e+05 0.66 1.647905459e+02 1.950758109e+01 2.892373155e+05 0.68 1.521610742e+02 1.813499500e+01 2.460523960e+05 0.70 1.404220000e+02 1.681885810e+01 2.093151595e+05 0.72 1.295122362e+02 1.555690715e+01 1.780629412e+05 0.74 1.193747865e+02 1.434696917e+01 1.514768061e+05 0.76 1.099565811e+02 1.318695771e+01 1.288600889e+05 0.78 1.012081104e+02 1.207486941e+01 1.096201393e+05 0.80 9.308329087e+01 1.100878071e+01 9.325279227e+04 0.82 8.553913806e+01 9.986844693e+00 7.932915671e+04 0.84 7.853554529e+01 9.007288069e+00 6.748437669e+04 0.86 7.203520655e+01 8.068408376e+00 5.740807060e+04 0.88 6.600325508e+01 7.168571256e+00 4.883619795e+04 0.90 6.040723883e+01 6.306207907e+00 4.154414068e+04 0.92 5.521687510e+01 5.479812663e+00 3.534081724e+04 0.94 5.040389956e+01 4.687940706e+00 3.006367522e+04 0.96 4.594201923e+01 3.929205911e+00 2.557443190e+04 0.98 4.180663074e+01 3.202278803e+00 2.175545069e+04 1.00 3.797486740e+01 2.505884648e+00 1.850665868e+04 1.02 3.442536041e+01 1.838801646e+00 1.574292431e+04 1.04 3.113819849e+01 1.199859245e+00 1.339182645e+04 1.06 2.809482070e+01 5.879365530e-01 1.139175671e+04 1.08 2.527791967e+01 1.960860995e-03 9.690305082e+03 1.10 2.267137539e+01 -5.590937427e-01 8.242886615e+03 1.12 2.026016679e+01 -1.096207660e+00 7.011573092e+03 1.14 1.803030786e+01 -1.610316984e+00 5.964099112e+03 1.16 1.596878362e+01 -2.102314610e+00 5.073016617e+03 1.18 1.406349220e+01 -2.573051270e+00 4.314975657e+03 1.20 1.230318374e+01 -3.023336493e+00 3.670112550e+03 1.22 1.067741721e+01 -3.453939487e+00 3.121529346e+03 1.24 9.176516042e+00 -3.865589957e+00 2.654851021e+03 1.26 7.791514667e+00 -4.258978865e+00 2.257848800e+03 1.28 6.514136737e+00 -4.634759129e+00 1.920119716e+03 1.30 5.336740694e+00 -4.993546270e+00 1.632814026e+03 1.32 4.252304441e+00 -5.335919015e+00 1.388403291e+03 1.34 3.254385638e+00 -5.662419858e+00 1.180483101e+03 1.36 2.337099979e+00 -5.973555584e+00 1.003605251e+03 1.38 1.495093340e+00 -6.269797765e+00 8.531349841e+02 1.40 7.235263418e-01 -6.551583232e+00 7.251295429e+02 1.42 1.803643727e-02 -6.819314528e+00 6.162348434e+02 1.44 -6.254525886e-01 -7.289402389e+00 5.235975852e+02 1.46 -1.194077371e+00 -8.100198169e+00 4.447860918e+02 1.48 -1.721913516e+00 -8.681232555e+00 3.777443655e+02 1.50 -2.197689793e+00 -9.184090161e+00 3.207114428e+02 1.52 -2.623943170e+00 -9.621782506e+00 2.721930346e+02 1.54 -3.003004690e+00 -1.000807670e+01 2.309179794e+02 1.56 -3.336956708e+00 -1.035560873e+01 1.958049115e+02 1.58 -3.627670326e+00 -1.066829107e+01 1.659339238e+02 1.60 -3.876849298e+00 -1.094682939e+01 1.405224601e+02 1.62 -4.086066077e+00 -1.119162795e+01 1.189048050e+02 1.64 -4.256806836e+00 -1.140347387e+01 1.005146385e+02 1.66 -4.390515001e+00 -1.158682520e+01 8.487019342e+01 1.68 -4.488638603e+00 -1.174798565e+01 7.156163150e+01 1.70 -4.552660876e+00 -1.188819431e+01 6.024030166e+01 1.72 -4.584155658e+00 -1.200156835e+01 5.060960273e+01 1.74 -4.584822715e+00 -1.208414304e+01 4.193897427e+01 1.76 -4.556527661e+00 -1.213368357e+01 3.413302736e+01 1.78 -4.501247121e+00 -1.215027806e+01 2.731409513e+01 1.80 -4.420689500e+00 -1.213651880e+01 2.152081387e+01 1.82 -4.316630379e+00 -1.209221997e+01 1.669615431e+01 1.84 -4.191101698e+00 -1.201337612e+01 1.267600102e+01 1.86 -4.046410896e+00 -1.190068431e+01 9.317916250e+00 1.88 -3.885147982e+00 -1.175840422e+01 6.522196240e+00 1.90 -3.710186638e+00 -1.159250964e+01 4.211601595e+00 1.92 -3.524662850e+00 -1.140114071e+01 2.315758835e+00 1.94 -3.331884314e+00 -1.117594461e+01 7.675754213e-01 1.96 -3.134970918e+00 -1.091748126e+01 -4.944022208e-01 1.98 -2.936771337e+00 -1.063167636e+01 -1.523205383e+00 2.00 -2.737586395e+00 -1.032629471e+01 -2.344421771e+00 2.02 -2.572862283e+00 -1.000860453e+01 -3.177573019e+00 2.04 -2.390915718e+00 -9.684080755e+00 -3.599622175e+00 2.06 -2.218602255e+00 -9.355665491e+00 -3.888858287e+00 2.08 -2.055307681e+00 -9.023477178e+00 -4.096560292e+00 2.10 -1.900538015e+00 -8.686431622e+00 -4.262761909e+00 2.12 -1.754728413e+00 -8.347093716e+00 -4.402184290e+00 2.14 -1.618324369e+00 -8.008689765e+00 -4.511677163e+00 2.16 -1.491559526e+00 -7.674355380e+00 -4.596627624e+00 2.18 -1.374468915e+00 -7.347503779e+00 -4.659095894e+00 2.20 -1.266905459e+00 -7.030816097e+00 -4.701133318e+00 2.22 -1.168565563e+00 -6.726155491e+00 -4.724779078e+00 2.24 -1.079011131e+00 -6.434693234e+00 -4.732031183e+00 2.26 -9.976973329e-01 -6.157026858e+00 -4.724811347e+00 2.28 -9.240012662e-01 -5.893262235e+00 -4.704921356e+00 2.30 -8.572520294e-01 -5.643103076e+00 -4.674015554e+00 2.32 -7.967566262e-01 -5.405910695e+00 -4.633562437e+00 2.34 -7.418295846e-01 -5.180764402e+00 -4.584832210e+00 2.36 -6.918174585e-01 -4.966502089e+00 -4.528876948e+00 2.38 -6.461232162e-01 -4.761762465e+00 -4.466523136e+00 2.40 -6.042205250e-01 -4.565017505e+00 -4.398365018e+00 2.42 -5.657343643e-01 -4.375126787e+00 -4.324873494e+00 2.44 -5.304734604e-01 -4.191949063e+00 -4.246605261e+00 2.46 -4.982677127e-01 -4.015427733e+00 -4.164112569e+00 2.48 -4.689462913e-01 -3.845468125e+00 -4.077919445e+00 2.50 -4.423346585e-01 -3.681931946e+00 -3.988514825e+00 2.52 -4.180294362e-01 -3.524647027e+00 -3.896349007e+00 2.54 -3.959457395e-01 -3.373410554e+00 -3.801835954e+00 2.56 -3.761129434e-01 -3.227989118e+00 -3.705344132e+00 2.58 -3.584696261e-01 -3.088123689e+00 -3.607201489e+00 2.60 -3.428948319e-01 -2.953529326e+00 -3.507690283e+00 2.62 -3.292308139e-01 -2.823900782e+00 -3.407049916e+00 2.64 -3.172991463e-01 -2.698910656e+00 -3.305472766e+00 2.66 -3.069144450e-01 -2.578218470e+00 -3.203113278e+00 2.68 -2.979792309e-01 -2.461463187e+00 -3.100078679e+00 2.70 -2.902476104e-01 -2.348269328e+00 -2.996434968e+00 2.72 -2.834264301e-01 -2.238256522e+00 -2.892214391e+00 2.74 -2.773244040e-01 -2.131213979e+00 -2.787553353e+00 2.76 -2.718535177e-01 -2.027169555e+00 -2.682765563e+00 2.78 -2.669489741e-01 -1.926163259e+00 -2.578176127e+00 2.80 -2.625610621e-01 -1.828231238e+00 -2.474109581e+00 2.82 -2.586510180e-01 -1.733408052e+00 -2.370889379e+00 2.84 -2.551878338e-01 -1.641726680e+00 -2.268837793e+00 2.86 -2.521465122e-01 -1.553216482e+00 -2.168269910e+00 2.88 -2.495039548e-01 -1.467908369e+00 -2.069498078e+00 2.90 -2.472440344e-01 -1.385832254e+00 -1.972778139e+00 2.92 -2.453561451e-01 -1.307017327e+00 -1.878305603e+00 2.94 -2.438244145e-01 -1.231494237e+00 -1.786269942e+00 2.96 -2.426277425e-01 -1.159293378e+00 -1.696853418e+00 2.98 -2.417399791e-01 -1.090446004e+00 -1.610232765e+00 3.00 -2.411293072e-01 -1.024985396e+00 -1.526580385e+00 3.02 -2.407587162e-01 -9.629468945e-01 -1.446063654e+00 3.04 -2.405877196e-01 -9.043680355e-01 -1.368846248e+00 3.06 -2.405897563e-01 -8.492734581e-01 -1.295095059e+00 3.08 -2.407501528e-01 -7.976781453e-01 -1.224982646e+00 3.10 -2.410501471e-01 -7.496015638e-01 -1.158686027e+00 3.12 -2.414689547e-01 -7.050683289e-01 -1.096385052e+00 3.14 -2.419851433e-01 -6.641083468e-01 -1.038261593e+00 3.16 -2.425779481e-01 -6.267568790e-01 -9.844995892e-01 3.18 -2.432295173e-01 -5.930555024e-01 -9.352843861e-01 3.20 -2.439258704e-01 -5.630511166e-01 -8.908003276e-01 3.22 -2.446581478e-01 -5.367324355e-01 -8.512315181e-01 3.24 -2.454240356e-01 -5.140701151e-01 -8.167596681e-01 3.26 -2.462278708e-01 -4.953007236e-01 -7.875627384e-01 3.28 -2.470819510e-01 -4.805681574e-01 -7.638132149e-01 3.30 -2.480062979e-01 -4.699437526e-01 -7.456770421e-01 3.32 -2.490279981e-01 -4.634646673e-01 -7.333107125e-01 3.34 -2.501814529e-01 -4.611676616e-01 -7.268600382e-01 3.36 -2.515035287e-01 -4.630804557e-01 -7.264106029e-01 3.38 -2.530002839e-01 -4.689701950e-01 -7.315977490e-01 3.40 -2.546565813e-01 -4.784646862e-01 -7.418021902e-01 3.42 -2.564522871e-01 -4.911905109e-01 -7.563880734e-01 3.44 -2.583638910e-01 -5.067567899e-01 -7.747112575e-01 3.46 -2.603629092e-01 -5.247383335e-01 -7.961227548e-01 3.48 -2.624175993e-01 -5.446670515e-01 -8.199728287e-01 3.50 -2.644920689e-01 -5.660306837e-01 -8.456147011e-01 3.52 -2.665482103e-01 -5.883326596e-01 -8.724059107e-01 3.54 -2.685434275e-01 -6.112421151e-01 -8.997118188e-01 3.56 -2.704330022e-01 -6.343302142e-01 -9.269068941e-01 3.58 -2.721697621e-01 -6.571534759e-01 -9.533747549e-01 3.60 -2.737041642e-01 -6.792665615e-01 -9.785105818e-01 3.62 -2.749840661e-01 -7.002212695e-01 -1.001719009e+00 3.64 -2.759562257e-01 -7.195682173e-01 -1.022415476e+00 3.66 -2.765649503e-01 -7.368558464e-01 -1.040023784e+00 3.68 -2.767607035e-01 -7.516823991e-01 -1.054047081e+00 3.70 -2.765340030e-01 -7.639263084e-01 -1.064388320e+00 3.72 -2.758903664e-01 -7.735603282e-01 -1.071083736e+00 3.74 -2.748370401e-01 -7.805560823e-01 -1.074167216e+00 3.76 -2.733821720e-01 -7.848836756e-01 -1.073670252e+00 3.78 -2.715357850e-01 -7.865119708e-01 -1.069621773e+00 3.80 -2.693099164e-01 -7.854084170e-01 -1.062047545e+00 3.82 -2.667190094e-01 -7.815396969e-01 -1.050971099e+00 3.84 -2.637827600e-01 -7.748752374e-01 -1.036408828e+00 3.86 -2.605349841e-01 -7.653992082e-01 -1.018355399e+00 3.88 -2.570139716e-01 -7.530993915e-01 -9.967951025e-01 3.90 -2.532590432e-01 -7.379622129e-01 -9.717055062e-01 3.92 -2.493105877e-01 -7.199730401e-01 -9.430573377e-01 3.94 -2.452100943e-01 -6.991162318e-01 -9.108140087e-01 3.96 -2.410000035e-01 -6.753753750e-01 -8.749317222e-01 3.98 -2.367236513e-01 -6.487330609e-01 -8.353586631e-01 4.00 -2.324151138e-01 -6.192618669e-01 -7.921578475e-01 4.02 -2.280750022e-01 -5.873360772e-01 -7.457981570e-01 4.04 -2.236966447e-01 -5.533938542e-01 -6.968418712e-01 4.06 -2.192729941e-01 -5.178742096e-01 -6.458625363e-01 4.08 -2.147966654e-01 -4.811700354e-01 -5.934478659e-01 4.10 -2.102601331e-01 -4.435267646e-01 -5.402014157e-01 4.12 -2.056555829e-01 -4.056691549e-01 -4.867439842e-01 4.14 -2.009750056e-01 -3.684102911e-01 -4.337142118e-01 4.16 -1.962103589e-01 -3.325822459e-01 -3.817689262e-01 4.18 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