# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Nord-J-Albe-K-Erhart-P-Nordlund-K--Ga-N # implementation = 2003--Nord-J--Ga-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 Ga Ga Ga N N N 0.02 1.198379229e+02 2.120981650e+03 5.689801454e+02 0.04 1.148101605e+02 1.979526441e+03 5.209646952e+02 0.06 1.099768506e+02 1.847191612e+03 4.766632158e+02 0.08 1.053308282e+02 1.723402912e+03 4.358012430e+02 0.10 1.008651842e+02 1.607621620e+03 3.981240661e+02 0.12 9.657325587e+01 1.499342375e+03 3.633953288e+02 0.14 9.244861899e+01 1.398091138e+03 3.313957289e+02 0.16 8.848507899e+01 1.303423281e+03 3.019218085e+02 0.18 8.467666314e+01 1.214921782e+03 2.747848296e+02 0.20 8.101761277e+01 1.132195539e+03 2.498097280e+02 0.22 7.750237574e+01 1.054877781e+03 2.268341415e+02 0.24 7.412559924e+01 9.826245750e+02 2.057075054e+02 0.26 7.088212279e+01 9.151134267e+02 1.862902126e+02 0.28 6.776697151e+01 8.520419628e+02 1.684528321e+02 0.30 6.477534960e+01 7.931266957e+02 1.520753827e+02 0.32 6.190263405e+01 7.381018610e+02 1.370466577e+02 0.34 5.914436859e+01 6.867183279e+02 1.232635979e+02 0.36 5.649625780e+01 6.387425738e+02 1.106307078e+02 0.38 5.395416146e+01 5.939557228e+02 9.905951363e+01 0.40 5.151408913e+01 5.521526419e+02 8.846805962e+01 0.42 4.917219479e+01 5.131410926e+02 7.878043970e+01 0.44 4.692477183e+01 4.767409337e+02 6.992636241e+01 0.46 4.476824808e+01 4.427833737e+02 6.184074657e+01 0.48 4.269918110e+01 4.111102679e+02 5.446334565e+01 0.50 4.071425356e+01 3.815734589e+02 4.773839870e+01 0.52 3.881026887e+01 3.540341569e+02 4.161430609e+01 0.54 3.698414684e+01 3.283623589e+02 3.604332828e+01 0.56 3.523291963e+01 3.044363024e+02 3.098130592e+01 0.58 3.355372771e+01 2.821419531e+02 2.638740000e+01 0.60 3.194381607e+01 2.613725237e+02 2.222385036e+01 0.62 3.040053047e+01 2.420280228e+02 1.845575148e+01 0.64 2.892131389e+01 2.240148305e+02 1.505084429e+01 0.66 2.750370305e+01 2.072453013e+02 1.197932276e+01 0.68 2.614532512e+01 1.916373901e+02 9.213654386e+00 0.70 2.484389444e+01 1.771143024e+02 6.728413498e+00 0.72 2.359720946e+01 1.636041652e+02 4.500126505e+00 0.74 2.240314974e+01 1.510397185e+02 2.507128231e+00 0.76 2.125967303e+01 1.393580260e+02 7.294285819e-01 0.78 2.016481250e+01 1.285002032e+02 -8.514112215e-01 0.80 1.911667403e+01 1.184111627e+02 -2.252393493e+00 0.82 1.811343361e+01 1.090393751e+02 -3.489190662e+00 0.84 1.715333486e+01 1.003366446e+02 -4.576244161e+00 0.86 1.623468657e+01 9.225789874e+01 -5.526856174e+00 0.88 1.535586037e+01 8.476099086e+01 -6.353274742e+00 0.90 1.451528848e+01 7.780651514e+01 -7.066772715e+00 0.92 1.371146156e+01 7.135763283e+01 -7.677720960e+00 0.94 1.294292654e+01 6.537990951e+01 -8.195656267e+00 0.96 1.220828469e+01 5.984116232e+01 -8.629344303e+00 0.98 1.150618955e+01 5.471131682e+01 -8.986837983e+00 1.00 1.083534516e+01 4.996227266e+01 -9.275531576e+00 1.02 1.019450415e+01 4.556777774e+01 -9.502210865e+00 1.04 9.582466036e+00 4.150331017e+01 -9.673099615e+00 1.06 8.998075489e+00 3.774596758e+01 -9.793902652e+00 1.08 8.440220728e+00 3.427436348e+01 -9.869845758e+00 1.10 7.907831933e+00 3.106852993e+01 -9.905712639e+00 1.12 7.399879718e+00 2.810982651e+01 -9.905879157e+00 1.14 6.915373669e+00 2.538085487e+01 -9.874345035e+00 1.16 6.453360925e+00 2.286537870e+01 -9.814763214e+00 1.18 6.012924816e+00 2.054824874e+01 -9.730467023e+00 1.20 5.593183537e+00 1.841533249e+01 -9.624495333e+00 1.22 5.193288886e+00 1.645344840e+01 -9.499615831e+00 1.24 4.812425031e+00 1.465030417e+01 -9.358346557e+00 1.26 4.449807331e+00 1.299443897e+01 -9.202975819e+00 1.28 4.104681193e+00 1.147516933e+01 -9.035580623e+00 1.30 3.776320975e+00 1.008253843e+01 -8.858043698e+00 1.32 3.464028921e+00 8.807268646e+00 -8.672069251e+00 1.34 3.167134138e+00 7.640717078e+00 -8.479197515e+00 1.36 2.884991614e+00 6.574833933e+00 -8.280818200e+00 1.38 2.616981260e+00 5.602123552e+00 -8.078182911e+00 1.40 2.362506993e+00 4.715607916e+00 -7.872416622e+00 1.42 2.120995857e+00 3.908792497e+00 -7.664528267e+00 1.44 1.891897159e+00 3.175634289e+00 -7.455420515e+00 1.46 1.674681655e+00 2.510511884e+00 -7.245898790e+00 1.48 1.468840754e+00 1.908197478e+00 -7.036679592e+00 1.50 1.273885749e+00 1.363830669e+00 -6.828398167e+00 1.52 1.089347082e+00 8.728939447e-01 -6.621615584e+00 1.54 9.147736350e-01 4.311897521e-01 -6.416825250e+00 1.56 7.497320395e-01 3.481904766e-02 -6.214458912e+00 1.58 5.938060184e-01 -3.198387659e-01 -6.014892189e+00 1.60 4.465957473e-01 -6.361446011e-01 -5.818449654e+00 1.62 3.077172403e-01 -9.172172293e-01 -5.625409523e+00 1.64 1.768017578e-01 -1.165949684e+00 -5.436007954e+00 1.66 5.349523520e-02 -1.385024595e+00 -5.250443005e+00 1.68 -6.254226730e-02 -1.576928520e+00 -5.068878273e+00 1.70 -1.716370954e-01 -1.743965343e+00 -4.891446228e+00 1.72 -2.741025120e-01 -1.888268792e+00 -4.718251281e+00 1.74 -3.702391899e-01 -2.011814131e+00 -4.549372591e+00 1.76 -4.603356872e-01 -2.116429093e+00 -4.384866641e+00 1.78 -5.446689047e-01 -2.203804084e+00 -4.224769603e+00 1.80 -6.235045270e-01 -2.275501714e+00 -4.069099492e+00 1.82 -6.970974479e-01 -2.332965698e+00 -3.917858147e+00 1.84 -7.656921803e-01 -2.377529172e+00 -3.771033036e+00 1.86 -8.295232501e-01 -2.410422445e+00 -3.628598908e+00 1.88 -8.888155775e-01 -2.432780243e+00 -3.490519296e+00 1.90 -9.437848429e-01 -2.445648466e+00 -3.356747893e+00 1.92 -9.946378402e-01 -2.449990493e+00 -3.227229802e+00 1.94 -1.041572817e+00 -2.446693065e+00 -3.101902673e+00 1.96 -1.084779803e+00 -2.436571768e+00 -2.980697740e+00 1.98 -1.124440923e+00 -2.420376150e+00 -2.863540755e+00 2.00 -1.160730705e+00 -2.398794492e+00 -2.750352848e+00 2.02 -1.193816372e+00 -2.372458251e+00 -2.624793425e+00 2.04 -1.223858121e+00 -2.341946207e+00 -2.473500854e+00 2.06 -1.251009398e+00 -2.307788320e+00 -2.301129077e+00 2.08 -1.275417161e+00 -2.270469332e+00 -2.112564353e+00 2.10 -1.297222127e+00 -2.230432110e+00 -1.912775681e+00 2.12 -1.316559021e+00 -2.188080769e+00 -1.706675021e+00 2.14 -1.333556806e+00 -2.143783577e+00 -1.498990338e+00 2.16 -1.348338907e+00 -2.097875654e+00 -1.294153893e+00 2.18 -1.361023432e+00 -2.050661489e+00 -1.096207558e+00 2.20 -1.371723379e+00 -2.002417276e+00 -9.087263305e-01 2.22 -1.380546833e+00 -1.953393093e+00 -7.347606064e-01 2.24 -1.387597168e+00 -1.903814922e+00 -5.767972267e-01 2.26 -1.392973226e+00 -1.853886529e+00 -4.367387825e-01 2.28 -1.396769497e+00 -1.803791210e+00 -3.159002168e-01 2.30 -1.399076295e+00 -1.753693415e+00 -2.150213680e-01 2.32 -1.399979925e+00 -1.703740250e+00 -1.342937831e-01 2.34 -1.399562836e+00 -1.654062880e+00 -7.339988454e-02 2.36 -1.397903782e+00 -1.604777825e+00 -3.156239945e-02 2.38 -1.395077967e+00 -1.555988161e+00 -7.601866644e-03 2.40 -1.391157189e+00 -1.507784640e+00 0.000000000e+00 2.42 -1.386209974e+00 -1.460246719e+00 0.000000000e+00 2.44 -1.380301714e+00 -1.413443525e+00 0.000000000e+00 2.46 -1.373494787e+00 -1.367434738e+00 0.000000000e+00 2.48 -1.365848684e+00 -1.322271412e+00 0.000000000e+00 2.50 -1.357420124e+00 -1.277996738e+00 0.000000000e+00 2.52 -1.348263171e+00 -1.234646746e+00 0.000000000e+00 2.54 -1.338429337e+00 -1.192250954e+00 0.000000000e+00 2.56 -1.327967692e+00 -1.150832970e+00 0.000000000e+00 2.58 -1.316924960e+00 -1.110411044e+00 0.000000000e+00 2.60 -1.305345619e+00 -1.070998582e+00 0.000000000e+00 2.62 -1.293271994e+00 -1.032604616e+00 0.000000000e+00 2.64 -1.280744346e+00 -9.952342415e-01 0.000000000e+00 2.66 -1.267800955e+00 -9.588890142e-01 0.000000000e+00 2.68 -1.254478210e+00 -9.235673216e-01 0.000000000e+00 2.70 -1.240810678e+00 -8.892647212e-01 0.000000000e+00 2.72 -1.226831193e+00 -8.507050201e-01 0.000000000e+00 2.74 -1.199322127e+00 -8.035296712e-01 0.000000000e+00 2.76 -1.146270585e+00 -7.492082395e-01 0.000000000e+00 2.78 -1.070327294e+00 -6.893024858e-01 0.000000000e+00 2.80 -9.751006632e-01 -6.254170811e-01 0.000000000e+00 2.82 -8.649681005e-01 -5.591529142e-01 0.000000000e+00 2.84 -7.448572046e-01 -4.920640942e-01 0.000000000e+00 2.86 -6.200078716e-01 -4.256195597e-01 0.000000000e+00 2.88 -4.957269153e-01 -3.611699975e-01 0.000000000e+00 2.90 -3.771467623e-01 -2.999205691e-01 0.000000000e+00 2.92 -2.689992243e-01 -2.429097365e-01 0.000000000e+00 2.94 -1.754142876e-01 -1.909942857e-01 0.000000000e+00 2.96 -9.975237489e-02 -1.448404621e-01 0.000000000e+00 2.98 -4.447670465e-02 -1.049209716e-01 0.000000000e+00 3.00 -1.107030152e-02 -7.151745333e-02 0.000000000e+00 3.02 0.000000000e+00 -4.472791463e-02 0.000000000e+00 3.04 0.000000000e+00 -2.447852109e-02 0.000000000e+00 3.06 0.000000000e+00 -1.053906393e-02 0.000000000e+00 3.08 0.000000000e+00 -2.541382821e-03 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 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0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 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