# 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 = GaN2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 8.371674436e+03 0.72 7.013762315e+03 0.74 5.893749695e+03 0.76 4.973278395e+03 0.78 4.219155929e+03 0.80 3.604561202e+03 0.82 3.102303491e+03 0.84 2.683073535e+03 0.86 2.324508674e+03 0.88 2.016656386e+03 0.90 1.754347533e+03 0.92 1.531265687e+03 0.94 1.339588199e+03 0.96 1.171934251e+03 0.98 1.023937946e+03 1.00 8.941505720e+02 1.02 7.816686115e+02 1.04 6.851880413e+02 1.06 6.029152373e+02 1.08 5.326067899e+02 1.10 4.717662924e+02 1.12 4.180299004e+02 1.14 3.696025559e+02 1.16 3.254951237e+02 1.18 2.853854028e+02 1.20 2.491820774e+02 1.22 2.167819436e+02 1.24 1.880387881e+02 1.26 1.627599051e+02 1.28 1.407067700e+02 1.30 1.216022476e+02 1.32 1.051472078e+02 1.34 9.104685779e+01 1.36 7.903780911e+01 1.38 6.889381527e+01 1.40 6.039789089e+01 1.42 5.331142937e+01 1.44 4.736935690e+01 1.46 4.229493102e+01 1.48 3.782962235e+01 1.50 3.377324794e+01 1.52 3.001297033e+01 1.54 2.651120852e+01 1.56 2.326084866e+01 1.58 2.025785345e+01 1.60 1.749777399e+01 1.62 1.497571937e+01 1.64 1.268614329e+01 1.66 1.062261715e+01 1.68 8.777596722e+00 1.70 7.142187342e+00 1.72 5.705916828e+00 1.74 4.456533349e+00 1.76 3.379856957e+00 1.78 2.459730240e+00 1.80 1.678134761e+00 1.82 1.015561361e+00 1.84 4.517311671e-01 1.86 -3.326665097e-02 1.88 -4.574676395e-01 1.90 -8.354353892e-01 1.92 -1.177160200e+00 1.94 -1.488143615e+00 1.96 -1.770806765e+00 1.98 -2.026270405e+00 2.00 -2.255374129e+00 2.02 -2.458927546e+00 2.04 -2.637710401e+00 2.06 -2.792468696e+00 2.08 -2.923922023e+00 2.10 -3.032771462e+00 2.12 -3.119707332e+00 2.14 -3.185416809e+00 2.16 -3.230591427e+00 2.18 -3.255934488e+00 2.20 -3.262168364e+00 2.22 -3.250041690e+00 2.24 -3.220336402e+00 2.26 -3.173874604e+00 2.28 -3.111525171e+00 2.30 -3.034210027e+00 2.32 -2.942909983e+00 2.34 -2.838669999e+00 2.36 -2.722603716e+00 2.38 -2.595897050e+00 2.40 -2.459810628e+00 2.42 -2.315680799e+00 2.44 -2.164918891e+00 2.46 -2.009008401e+00 2.48 -1.849499699e+00 2.50 -1.688001846e+00 2.52 -1.526171082e+00 2.54 -1.365695501e+00 2.56 -1.208275485e+00 2.58 -1.055599452e+00 2.60 -9.093145556e-01 2.62 -7.709921099e-01 2.64 -6.420876780e-01 2.66 -5.238960751e-01 2.68 -4.175019759e-01 2.70 -3.237274667e-01 2.72 -2.430788323e-01 2.74 -1.756962087e-01 2.76 -1.213115791e-01 2.78 -7.922293991e-02 2.80 -4.829511932e-02 2.82 -2.699990944e-02 2.84 -1.350816295e-02 2.86 -5.841218410e-03 2.88 -2.074443469e-03 2.90 -5.595565968e-04 2.92 -1.010751187e-04 2.94 -9.844570411e-06 2.96 -3.440825066e-07 2.98 -1.815286587e-09 3.00 -1.563111696e-13 3.02 -7.632983677e-23 3.04 -5.114865106e-66 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00