# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Branicio-P-S-Rino-J-P-Gan-C-K-Tsuzuki-H--In-P # implementation = 2009--Branicio-P-S--In-P--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 In In In P P P 0.02 2.137375000e+14 9.466968436e+18 1.416452798e+15 0.04 1.669824219e+12 1.849011502e+16 1.106601975e+13 0.06 9.773091027e+10 4.809662484e+14 6.476654885e+11 0.08 1.304550196e+10 3.611260371e+13 8.645218817e+10 0.10 2.735840203e+09 4.846819641e+12 1.813009196e+10 0.12 7.635229018e+08 9.393079355e+11 5.059674555e+09 0.14 2.595342535e+08 2.345644697e+11 1.719820168e+09 0.16 1.019181062e+08 7.051830521e+10 6.753417286e+08 0.18 4.468731111e+07 2.442794614e+10 2.960982434e+08 0.20 2.137384781e+07 9.462736852e+09 1.416147793e+08 0.22 1.096820157e+07 4.012527783e+09 7.266576049e+07 0.24 5.965101631e+06 1.833341965e+09 3.951612883e+07 0.26 3.406329334e+06 8.918520062e+08 2.256307189e+07 0.28 2.027677997e+06 4.576394699e+08 1.342943549e+07 0.30 1.251018403e+06 2.458841899e+08 8.284397433e+06 0.32 7.962926162e+05 1.375087332e+08 5.272283107e+06 0.34 5.209352343e+05 7.965421957e+07 3.448481419e+06 0.36 3.491698575e+05 4.760087695e+07 2.310932178e+06 0.38 2.391623128e+05 2.924702236e+07 1.582473327e+06 0.40 1.670276947e+05 1.842330206e+07 1.104869120e+06 0.42 1.187140697e+05 1.186895769e+07 7.850316566e+05 0.44 8.572890074e+04 7.803778641e+06 5.667050266e+05 0.46 6.281332647e+04 5.227017876e+06 4.150560340e+05 0.48 4.663828572e+04 3.560983119e+06 3.080355475e+05 0.50 3.505356840e+04 2.464037031e+06 2.314033764e+05 0.52 2.664458499e+04 1.729623135e+06 1.757919389e+05 0.54 2.046483225e+04 1.230292981e+06 1.349339690e+05 0.56 1.587105427e+04 8.859226379e+05 1.045705862e+05 0.58 1.241973646e+04 6.452602402e+05 8.176568386e+04 0.60 9.800964022e+03 4.749914358e+05 6.446784142e+04 0.62 7.795465564e+03 3.531356436e+05 5.122581868e+04 0.64 6.246290355e+03 2.649868671e+05 4.100098403e+04 0.66 5.039869838e+03 2.005772542e+05 3.304189943e+04 0.68 4.093186568e+03 1.530676482e+05 2.679935665e+04 0.70 3.344973436e+03 1.177115640e+05 2.186810544e+04 0.72 2.749607150e+03 9.117923163e+04 1.794642438e+04 0.74 2.272824930e+03 7.111094283e+04 1.480776506e+04 0.76 1.888689162e+03 5.581837074e+04 1.228065978e+04 0.78 1.577415571e+03 4.408257788e+04 1.023434667e+04 0.80 1.323805007e+03 3.501595154e+04 8.568391013e+03 0.82 1.116101252e+03 2.796687900e+04 7.205127018e+03 0.84 9.451522862e+02 2.245330047e+04 6.084108197e+03 0.86 8.037895797e+02 1.811596991e+04 5.158000876e+03 0.88 6.863653209e+02 1.468529393e+04 4.389523000e+03 0.90 5.884049655e+02 1.195761066e+04 3.749146063e+03 0.92 5.063446102e+02 9.778088288e+03 3.213358327e+03 0.94 4.373312080e+02 8.028303654e+03 2.763343816e+03 0.96 3.790696578e+02 6.617155847e+03 2.383971406e+03 0.98 3.297050833e+02 5.474173963e+03 2.063016680e+03 1.00 2.877316946e+02 4.544556052e+03 1.790559602e+03 1.02 2.519218514e+02 3.785468417e+03 1.558515780e+03 1.04 2.212705647e+02 3.163268537e+03 1.360269818e+03 1.06 1.949518626e+02 2.651409122e+03 1.190387098e+03 1.08 1.722843213e+02 2.228847509e+03 1.044386145e+03 1.10 1.527037110e+02 1.878832156e+03 9.185580270e+02 1.12 1.357411937e+02 1.587972122e+03 8.098224283e+02 1.14 1.210058718e+02 1.345520027e+03 7.156124821e+02 1.16 1.081707634e+02 1.142816923e+03 6.337822300e+02 1.18 9.696148531e+01 9.728605458e+02 5.625319749e+02 1.20 8.714708893e+01 8.299680554e+02 5.003478405e+02 1.22 7.853260984e+01 7.095114759e+02 4.459526542e+02 1.24 7.095299092e+01 6.077093084e+02 3.982658922e+02 1.26 6.426810812e+01 5.214617462e+02 3.563709016e+02 1.28 5.835868546e+01 4.482198697e+02 3.194879927e+02 1.30 5.312292969e+01 3.858814321e+02 2.869522754e+02 1.32 4.847374909e+01 3.327075341e+02 2.581953513e+02 1.34 4.433644827e+01 2.872557687e+02 2.327301424e+02 1.36 4.064681182e+01 2.483264034e+02 2.101382838e+02 1.38 3.734950690e+01 2.149189147e+02 1.900596185e+02 1.40 3.439674780e+01 1.861967751e+02 1.721834186e+02 1.42 3.174717680e+01 1.614588369e+02 1.562410305e+02 1.44 2.936492373e+01 1.401160102e+02 1.419996972e+02 1.46 2.721881374e+01 1.216721993e+02 1.292573565e+02 1.48 2.528169836e+01 1.057086778e+02 1.178382506e+02 1.50 2.352988917e+01 9.187124641e+01 1.075892106e+02 1.52 2.194267752e+01 7.985965121e+01 9.837650709e+01 1.54 2.050192598e+01 6.941884133e+01 9.008317215e+01 1.56 1.919172026e+01 6.033172875e+01 8.260671955e+01 1.58 1.799807204e+01 5.241317755e+01 7.585719821e+01 1.60 1.690866455e+01 4.550500206e+01 6.975552775e+01 1.62 1.591263451e+01 3.947179513e+01 6.423207189e+01 1.64 1.500038475e+01 3.419744091e+01 5.922541362e+01 1.66 1.416342295e+01 2.958219352e+01 5.468130147e+01 1.68 1.339422252e+01 2.554022466e+01 5.055174134e+01 1.70 1.268610246e+01 2.199756056e+01 4.679421232e+01 1.72 1.203312331e+01 1.889034302e+01 4.337098849e+01 1.74 1.142999704e+01 1.616336079e+01 4.024855126e+01 1.76 1.087200871e+01 1.376880682e+01 3.739707930e+01 1.78 1.035494830e+01 1.166522476e+01 3.479000524e+01 1.80 9.875051404e+00 9.816614221e+00 3.240362957e+01 1.82 9.428947401e+00 8.191669551e+00 3.021678404e+01 1.84 9.013614156e+00 6.763131068e+00 2.821053753e+01 1.86 8.626338394e+00 5.507231217e+00 2.636793896e+01 1.88 8.264680932e+00 4.403220978e+00 2.467379188e+01 1.90 7.926446169e+00 3.432964244e+00 2.311445691e+01 1.92 7.609655247e+00 2.580589872e+00 2.167767803e+01 1.94 7.312522434e+00 1.832192745e+00 2.035242990e+01 1.96 7.033434284e+00 1.175576567e+00 1.912878331e+01 1.98 6.770931252e+00 6.000322235e-01 1.799778649e+01 2.00 6.523691434e+00 9.614653529e-02 1.695136030e+01 2.02 6.290516172e+00 -3.443630049e-01 1.598220562e+01 2.04 6.070317301e+00 -7.287912335e-01 1.508372122e+01 2.06 5.862105828e+00 -1.063569220e+00 1.424993108e+01 2.08 5.664981875e+00 -1.354371762e+00 1.347541986e+01 2.10 5.478125727e+00 -1.606210768e+00 1.275527548e+01 2.12 5.300789871e+00 -1.823516476e+00 1.208503818e+01 2.14 5.132291885e+00 -2.010208180e+00 1.146065504e+01 2.16 4.972008095e+00 -2.169755900e+00 1.087843952e+01 2.18 4.819367911e+00 -2.305234205e+00 1.033503527e+01 2.20 4.673848753e+00 -2.419369254e+00 9.827383892e+00 2.22 4.534971508e+00 -2.514579944e+00 9.352696004e+00 2.24 4.402296461e+00 -2.593013954e+00 8.908425431e+00 2.26 4.275419639e+00 -2.656579338e+00 8.492246015e+00 2.28 4.153969527e+00 -2.706972260e+00 8.102030840e+00 2.30 4.037604113e+00 -2.745701354e+00 7.735833568e+00 2.32 3.926008234e+00 -2.774109150e+00 7.391871671e+00 2.34 3.818891179e+00 -2.793390936e+00 7.068511344e+00 2.36 3.715984524e+00 -2.804611371e+00 6.764253925e+00 2.38 3.617040187e+00 -2.808719139e+00 6.477723648e+00 2.40 3.521828661e+00 -2.806559892e+00 6.207656606e+00 2.42 3.430137420e+00 -2.798887671e+00 5.952890782e+00 2.44 3.341769477e+00 -2.786375015e+00 5.712357043e+00 2.46 3.256542071e+00 -2.769621906e+00 5.485070991e+00 2.48 3.174285485e+00 -2.749163687e+00 5.270125598e+00 2.50 3.094841966e+00 -2.725478089e+00 5.066684522e+00 2.52 3.018064747e+00 -2.698991456e+00 4.873976061e+00 2.54 2.943817156e+00 -2.670084280e+00 4.691287654e+00 2.56 2.871971807e+00 -2.639096111e+00 4.517960900e+00 2.58 2.802409860e+00 -2.606329926e+00 4.353387027e+00 2.60 2.735020350e+00 -2.572056021e+00 4.197002770e+00 2.62 2.669699574e+00 -2.536515466e+00 4.048286622e+00 2.64 2.606350527e+00 -2.499923192e+00 3.906755424e+00 2.66 2.544882393e+00 -2.462470739e+00 3.771961249e+00 2.68 2.485210074e+00 -2.424328709e+00 3.643488565e+00 2.70 2.427253763e+00 -2.385648954e+00 3.520951649e+00 2.72 2.370938551e+00 -2.346566534e+00 3.403992219e+00 2.74 2.316194067e+00 -2.307201458e+00 3.292277275e+00 2.76 2.262954146e+00 -2.267660254e+00 3.185497119e+00 2.78 2.211156527e+00 -2.228037361e+00 3.083363553e+00 2.80 2.160742576e+00 -2.188416384e+00 2.985608215e+00 2.82 2.111657027e+00 -2.148871212e+00 2.891981070e+00 2.84 2.063847746e+00 -2.109467020e+00 2.802249012e+00 2.86 2.017265518e+00 -2.070261175e+00 2.716194593e+00 2.88 1.971863842e+00 -2.031304036e+00 2.633614846e+00 2.90 1.927598752e+00 -1.992639684e+00 2.554320216e+00 2.92 1.884428640e+00 -1.954306565e+00 2.478133565e+00 2.94 1.842314105e+00 -1.916338080e+00 2.404889263e+00 2.96 1.801217807e+00 -1.878763105e+00 2.334432355e+00 2.98 1.761104328e+00 -1.841606462e+00 2.266617787e+00 3.00 1.721940053e+00 -1.804889343e+00 2.201309696e+00 3.02 1.683693054e+00 -1.768629689e+00 2.138380759e+00 3.04 1.646332980e+00 -1.732842534e+00 2.077711583e+00 3.06 1.609830964e+00 -1.697540309e+00 2.019190156e+00 3.08 1.574159526e+00 -1.662733123e+00 1.962711328e+00 3.10 1.539292490e+00 -1.628429007e+00 1.908176334e+00 3.12 1.505204908e+00 -1.594634143e+00 1.855492362e+00 3.14 1.471872980e+00 -1.561353062e+00 1.804572140e+00 3.16 1.439273993e+00 -1.528588824e+00 1.755333564e+00 3.18 1.407386249e+00 -1.496343187e+00 1.707699350e+00 3.20 1.376189017e+00 -1.464616750e+00 1.661596709e+00 3.22 1.345662466e+00 -1.433409083e+00 1.616957053e+00 3.24 1.315787621e+00 -1.402718851e+00 1.573715715e+00 3.26 1.286546313e+00 -1.372543920e+00 1.531811693e+00 3.28 1.257921134e+00 -1.342881449e+00 1.491187413e+00 3.30 1.229895397e+00 -1.313727982e+00 1.451788506e+00 3.32 1.202453092e+00 -1.285079524e+00 1.413563604e+00 3.34 1.175578854e+00 -1.256931611e+00 1.376464147e+00 3.36 1.149257928e+00 -1.229279372e+00 1.340444207e+00 3.38 1.123476136e+00 -1.202117586e+00 1.305460325e+00 3.40 1.098219846e+00 -1.175440737e+00 1.271471351e+00 3.42 1.073475946e+00 -1.149243052e+00 1.238438308e+00 3.44 1.049231817e+00 -1.123518547e+00 1.206324253e+00 3.46 1.025475307e+00 -1.098261065e+00 1.175094157e+00 3.48 1.002194708e+00 -1.073464303e+00 1.144714784e+00 3.50 9.793787361e-01 -1.049121848e+00 1.115154590e+00 3.52 9.570165079e-01 -1.025227196e+00 1.086383615e+00 3.54 9.350975236e-01 -1.001773784e+00 1.058373393e+00 3.56 9.136116474e-01 -9.787550030e-01 1.031096865e+00 3.58 8.925490908e-01 -9.561642214e-01 1.004528291e+00 3.60 8.719003966e-01 -9.339947994e-01 9.786431800e-01 3.62 8.516564231e-01 -9.122401044e-01 9.534182143e-01 3.64 8.318083302e-01 -8.908935237e-01 9.288311830e-01 3.66 8.123475658e-01 -8.699484757e-01 9.048609192e-01 3.68 7.932658526e-01 -8.493984206e-01 8.814872412e-01 3.70 7.745551765e-01 -8.292368682e-01 8.586908972e-01 3.72 7.562077747e-01 -8.094573866e-01 8.364535137e-01 3.74 7.382161252e-01 -7.900536081e-01 8.147575466e-01 3.76 7.205729362e-01 -7.710192353e-01 7.935862363e-01 3.78 7.032711367e-01 -7.523480461e-01 7.729235646e-01 3.80 6.863038675e-01 -7.340338977e-01 7.527542149e-01 3.82 6.696644717e-01 -7.160707304e-01 7.330635344e-01 3.84 6.533464873e-01 -6.984525701e-01 7.138374990e-01 3.86 6.373436388e-01 -6.811735316e-01 6.950626798e-01 3.88 6.216498301e-01 -6.642278195e-01 6.767262120e-01 3.90 6.062591372e-01 -6.476097305e-01 6.588157660e-01 3.92 5.911658016e-01 -6.313136543e-01 6.413195189e-01 3.94 5.763642238e-01 -6.153340743e-01 6.242261292e-01 3.96 5.618489576e-01 -5.996655683e-01 6.075247123e-01 3.98 5.476147037e-01 -5.843028086e-01 5.912048170e-01 4.00 5.336563048e-01 -5.692405621e-01 5.752564042e-01 4.02 5.199687399e-01 -5.544736900e-01 5.596698263e-01 4.04 5.065471198e-01 -5.399971475e-01 5.444358078e-01 4.06 4.933866818e-01 -5.258059829e-01 5.295454273e-01 4.08 4.804827856e-01 -5.118953375e-01 5.149901000e-01 4.10 4.678309087e-01 -4.982604443e-01 5.007615619e-01 4.12 4.554266424e-01 -4.848966269e-01 4.868518541e-01 4.14 4.432656878e-01 -4.717992992e-01 4.732533086e-01 4.16 4.313438521e-01 -4.589639634e-01 4.599585344e-01 4.18 4.196570450e-01 -4.463862093e-01 4.469604048e-01 4.20 4.082012750e-01 -4.340617130e-01 4.342520451e-01 4.22 3.969726465e-01 -4.219862356e-01 4.218268207e-01 4.24 3.859673565e-01 -4.101556216e-01 4.096783269e-01 4.26 3.751816912e-01 -3.985657977e-01 3.978003778e-01 4.28 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