# 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 = Ga2N # 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 1.212907428e+04 0.72 1.019635792e+04 0.74 8.602423548e+03 0.76 7.286740224e+03 0.78 6.202114065e+03 0.80 5.311271720e+03 0.82 4.576826411e+03 0.84 3.961634198e+03 0.86 3.438140117e+03 0.88 2.990893257e+03 0.90 2.608558059e+03 0.92 2.279957368e+03 0.94 1.994534318e+03 0.96 1.743405008e+03 0.98 1.521253515e+03 1.00 1.326123795e+03 1.02 1.156693473e+03 1.04 1.011148757e+03 1.06 8.870851447e+02 1.08 7.815550186e+02 1.10 6.912723973e+02 1.12 6.130200190e+02 1.14 5.441464206e+02 1.16 4.828502004e+02 1.18 4.280276449e+02 1.20 3.788682102e+02 1.22 3.347177254e+02 1.24 2.951339990e+02 1.26 2.598359281e+02 1.28 2.285706531e+02 1.30 2.010518799e+02 1.32 1.769663101e+02 1.34 1.559971184e+02 1.36 1.378491457e+02 1.38 1.222567296e+02 1.40 1.089603079e+02 1.42 9.767415716e+01 1.44 8.807665206e+01 1.46 7.982372888e+01 1.48 7.258099730e+01 1.50 6.607001009e+01 1.52 6.010611726e+01 1.54 5.459307728e+01 1.56 4.947952505e+01 1.58 4.473133614e+01 1.60 4.032749854e+01 1.62 3.625553365e+01 1.64 3.250532941e+01 1.66 2.906613544e+01 1.68 2.592599151e+01 1.70 2.307153058e+01 1.72 2.048780393e+01 1.74 1.815814664e+01 1.76 1.606410755e+01 1.78 1.418547976e+01 1.80 1.250048292e+01 1.82 1.098616369e+01 1.84 9.619087514e+00 1.86 8.376374161e+00 1.88 7.237054498e+00 1.90 6.183567545e+00 1.92 5.202985490e+00 1.94 4.287375833e+00 1.96 3.432878364e+00 1.98 2.637836286e+00 2.00 1.901167627e+00 2.02 1.221781056e+00 2.04 5.985670649e-01 2.06 3.040790045e-02 2.08 -4.838375284e-01 2.10 -9.453499938e-01 2.12 -1.355365891e+00 2.14 -1.715192708e+00 2.16 -2.026223922e+00 2.18 -2.289953188e+00 2.20 -2.507987634e+00 2.22 -2.682060055e+00 2.24 -2.814039720e+00 2.26 -2.905941497e+00 2.28 -2.959932913e+00 2.30 -2.978338751e+00 2.32 -2.963642730e+00 2.34 -2.918485770e+00 2.36 -2.845660333e+00 2.38 -2.748100333e+00 2.40 -2.628866099e+00 2.42 -2.491123960e+00 2.44 -2.338120096e+00 2.46 -2.173148456e+00 2.48 -1.999512750e+00 2.50 -1.820482791e+00 2.52 -1.639245851e+00 2.54 -1.458854079e+00 2.56 -1.282169578e+00 2.58 -1.111809262e+00 2.60 -9.500922168e-01 2.62 -7.989928046e-01 2.64 -6.601031392e-01 2.66 -5.346086135e-01 2.68 -4.232795602e-01 2.70 -3.264804747e-01 2.72 -2.441950479e-01 2.74 -1.760604755e-01 2.76 -1.213994086e-01 2.78 -7.923655961e-02 2.80 -4.829618768e-02 2.82 -2.699993635e-02 2.84 -1.350816303e-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