# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = SW_BereSerra_2006_GaN__MO_861114678890_000 # composition = Ga3N # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 1.301954655e+04 nan nan 0.72 1.098445804e+04 nan nan 0.74 9.311494916e+03 nan nan 0.76 7.931354676e+03 1.338478183e+04 nan 0.78 6.785480818e+03 1.143506679e+04 1.370493523e+04 0.80 5.824910160e+03 9.822155503e+03 1.176402016e+04 0.82 5.014662972e+03 8.480027304e+03 1.011718824e+04 0.84 4.326997027e+03 7.345170079e+03 8.720800421e+03 0.86 3.736189240e+03 6.373668740e+03 7.535351333e+03 0.88 3.224584293e+03 5.540266660e+03 6.524199945e+03 0.90 2.782497635e+03 4.824553856e+03 5.660392485e+03 0.92 2.402100849e+03 4.206842234e+03 4.923216440e+03 0.94 2.076279528e+03 3.670421550e+03 4.293445674e+03 0.96 1.799117841e+03 3.202808435e+03 3.753554970e+03 0.98 1.565237760e+03 2.795785692e+03 3.289967810e+03 1.00 1.368743701e+03 2.444204350e+03 2.892867755e+03 1.02 1.203203548e+03 2.143034657e+03 2.553538645e+03 1.04 1.062375418e+03 1.886435118e+03 2.263180596e+03 1.06 9.408715256e+02 1.668130740e+03 2.012859170e+03 1.08 8.346195396e+02 1.481743323e+03 1.794485188e+03 1.10 7.410271740e+02 1.320931948e+03 1.601966958e+03 1.12 6.583892215e+02 1.180035417e+03 1.431605301e+03 1.14 5.854047132e+02 1.054997531e+03 1.280951102e+03 1.16 5.210663840e+02 9.433509215e+02 1.147685390e+03 1.18 4.645238106e+02 8.434470829e+02 1.029536363e+03 1.20 4.149085112e+02 7.538691477e+02 9.245322758e+02 1.22 3.712369102e+02 6.733223183e+02 8.310826973e+02 1.24 3.324878860e+02 6.007803633e+02 7.477394654e+02 1.26 2.977807281e+02 5.355372000e+02 6.730191538e+02 1.28 2.665174010e+02 4.771022088e+02 6.055506708e+02 1.30 2.383329415e+02 4.250509375e+02 5.443208618e+02 1.32 2.129417794e+02 3.789316165e+02 4.887273548e+02 1.34 1.900848670e+02 3.382621048e+02 4.383595657e+02 1.36 1.695402966e+02 3.025619832e+02 3.928155252e+02 1.38 1.511258975e+02 2.713703524e+02 3.516927321e+02 1.40 1.346883366e+02 2.442284385e+02 3.146279608e+02 1.42 1.200968181e+02 2.206536968e+02 2.813286159e+02 1.44 1.072365873e+02 2.001460811e+02 2.515673090e+02 1.46 9.599184082e+01 1.822165092e+02 2.251372193e+02 1.48 8.623067401e+01 1.664123234e+02 2.018114573e+02 1.50 7.780123039e+01 1.523429332e+02 1.813338116e+02 1.52 7.053389074e+01 1.397101969e+02 1.634248721e+02 1.54 6.424738559e+01 1.283047719e+02 1.477933497e+02 1.56 5.875972688e+01 1.179607577e+02 1.341504263e+02 1.58 5.390317475e+01 1.085266337e+02 1.222224246e+02 1.60 4.953831053e+01 9.986690881e+01 1.117552475e+02 1.62 4.555881943e+01 9.186840716e+01 1.025112385e+02 1.64 4.188378328e+01 8.444511042e+01 9.427209830e+01 1.66 3.844855330e+01 7.754080114e+01 8.685566071e+01 1.68 3.520514449e+01 7.112393909e+01 8.013062297e+01 1.70 3.212504449e+01 6.517472308e+01 7.400864839e+01 1.72 2.919595013e+01 5.967425455e+01 6.841832053e+01 1.74 2.641370353e+01 5.460100419e+01 6.328853611e+01 1.76 2.377608927e+01 4.993035381e+01 5.854853789e+01 1.78 2.128114471e+01 4.563451782e+01 5.413292049e+01 1.80 1.892705985e+01 4.168269801e+01 4.998732984e+01 1.82 1.671213474e+01 3.804159224e+01 4.607300163e+01 1.84 1.463472928e+01 3.467638638e+01 4.236759127e+01 1.86 1.269321375e+01 3.155233139e+01 3.886098386e+01 1.88 1.088591998e+01 2.863689513e+01 3.554855413e+01 1.90 9.211093005e+00 2.590223322e+01 3.242662281e+01 1.92 7.666843266e+00 2.332735209e+01 2.949124268e+01 1.94 6.251099403e+00 2.089901685e+01 2.673806973e+01 1.96 4.961561878e+00 1.861063790e+01 2.416228397e+01 1.98 3.795657742e+00 1.645948729e+01 2.175851400e+01 2.00 2.750497019e+00 1.444400095e+01 1.952077592e+01 2.02 1.822831341e+00 1.256259122e+01 1.744243393e+01 2.04 1.009015623e+00 1.081347779e+01 1.551619162e+01 2.06 3.049737597e-01 9.194660666e+00 1.373412547e+01 2.08 -2.938304712e-01 7.703876873e+00 1.208777332e+01 2.10 -7.924159325e-01 6.338557039e+00 1.056829117e+01 2.12 -1.196298492e+00 5.095784230e+00 9.166688145e+00 2.14 -1.511495470e+00 3.972256133e+00 7.874141555e+00 2.16 -1.744518267e+00 2.964251895e+00 6.682376296e+00 2.18 -1.902351150e+00 2.067605318e+00 5.584065674e+00 2.20 -1.992414198e+00 1.277686379e+00 4.573174649e+00 2.22 -2.022508468e+00 5.893934872e-01 3.645135789e+00 2.24 -2.000741750e+00 -2.840793208e-03 2.796752627e+00 2.26 -1.935433688e+00 -5.050274559e-01 2.025805179e+00 2.28 -1.834999770e+00 -9.235788705e-01 1.330492751e+00 2.30 -1.707814622e+00 -1.265243355e+00 7.089780306e-01 2.32 -1.562056261e+00 -1.537013507e+00 1.592005859e-01 2.34 -1.405534437e+00 -1.746006333e+00 -3.211362553e-01 2.36 -1.245507850e+00 -1.899315373e+00 -7.345626665e-01 2.38 -1.088496785e+00 -2.003838848e+00 -1.083851881e+00 2.40 -9.400994469e-01 -2.066094086e+00 -1.372029022e+00 2.42 -8.048219817e-01 -2.092037560e+00 -1.602376161e+00 2.44 -6.859338309e-01 -2.086921231e+00 -1.778432817e+00 2.46 -5.853621406e-01 -2.055226412e+00 -1.903991068e+00 2.48 -5.036419203e-01 -2.000717942e+00 -1.983084429e+00 2.50 -4.399431701e-01 -1.926640037e+00 -2.019969633e+00 2.52 -3.922017419e-01 -1.836016954e+00 -2.019100457e+00 2.54 -3.573835329e-01 -1.731937061e+00 -1.985092834e+00 2.56 -3.319019027e-01 -1.617659551e+00 -1.922680612e+00 2.58 -3.121695651e-01 -1.496493042e+00 -1.836661564e+00 2.60 -2.951860656e-01 -1.371595094e+00 -1.731833537e+00 2.62 -2.789635471e-01 -1.245848051e+00 -1.612921071e+00 2.64 -2.625769453e-01 -1.121801136e+00 -1.484493378e+00 2.66 -2.458213996e-01 -1.001634284e+00 -1.350875202e+00 2.68 -2.287746766e-01 -8.871371634e-01 -1.216052941e+00 2.70 -2.115672113e-01 -7.797054256e-01 -1.083579376e+00 2.72 -1.943331912e-01 -6.803538018e-01 -9.564815195e-01 2.74 -1.772066941e-01 -5.897412833e-01 -8.371775442e-01 2.76 -1.603208102e-01 -5.081985769e-01 -7.274104891e-01 2.78 -1.438066103e-01 -4.357459014e-01 -6.282085326e-01 2.80 -1.277918999e-01 -3.720957960e-01 -5.398838687e-01 2.82 -1.123997430e-01 -3.166541915e-01 -4.620838771e-01 2.84 -9.774674643e-02 -2.685528375e-01 -3.939075345e-01 2.86 -8.394109776e-02 -2.267423480e-01 -3.340934861e-01 2.88 -7.108036260e-02 -1.901421897e-01 -2.812692982e-01 2.90 -5.924906193e-02 -1.578113448e-01 -2.342215107e-01 2.92 -4.851607104e-02 -1.290843786e-01 -1.921104966e-01 2.94 -3.893191312e-02 -1.036128140e-01 -1.545405938e-01 2.96 -3.052606197e-02 -8.128619339e-02 -1.214470918e-01 2.98 -2.330442261e-02 -6.208490070e-02 -9.287891206e-02 3.00 -1.724722727e-02 -4.596377973e-02 -6.882676100e-02 3.02 -1.230766299e-02 -3.280778334e-02 -4.915948841e-02 3.04 -8.411629281e-03 -2.242600215e-02 -3.361834001e-02 3.06 -5.459089715e-03 -1.455581964e-02 -2.182649862e-02 3.08 -3.327495198e-03 -8.872792555e-03 -1.330701095e-02 3.10 -1.877663829e-03 -5.006971330e-03 -7.509911609e-03 3.12 -9.622278781e-04 -2.565914722e-03 -3.848763652e-03 3.14 -4.362300634e-04 -1.163276273e-03 -1.744898339e-03 3.16 -1.686520897e-04 -4.497385117e-04 -6.746061415e-04 3.18 -5.273266683e-05 -1.406204209e-04 -2.109305325e-04 3.20 -1.231506863e-05 -3.284018228e-05 -4.926027043e-05 3.22 -1.895741407e-06 -5.055310411e-06 -7.582965583e-06 3.24 -1.561820396e-07 -4.164854390e-07 -6.247281584e-07 3.26 -4.732981475e-09 -1.262128393e-08 -1.893192590e-08 3.28 -2.492135558e-11 -6.645694822e-11 -9.968542232e-11 3.30 -3.962127822e-15 -1.056567419e-14 -1.584851129e-14 3.32 -9.980706591e-23 -2.661521758e-22 -3.992282637e-22 3.34 -1.585046032e-45 -4.226789418e-45 -6.340184127e-45 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 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