# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = 2006--Bere-A--Ga-N--LAMMPS--ipr1 # 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 1.212907422e+04 0.72 1.019635787e+04 0.74 8.602423506e+03 0.76 7.286740189e+03 0.78 6.202114035e+03 0.80 5.311271694e+03 0.82 4.576826389e+03 0.84 3.961634179e+03 0.86 3.438140100e+03 0.88 2.990893243e+03 0.90 2.608558047e+03 0.92 2.279957357e+03 0.94 1.994534308e+03 0.96 1.743405000e+03 0.98 1.521253508e+03 1.00 1.326123788e+03 1.02 1.156693467e+03 1.04 1.011148752e+03 1.06 8.870851404e+02 1.08 7.815550147e+02 1.10 6.912723939e+02 1.12 6.130200159e+02 1.14 5.441464179e+02 1.16 4.828501980e+02 1.18 4.280276428e+02 1.20 3.788682083e+02 1.22 3.347177237e+02 1.24 2.951339975e+02 1.26 2.598359268e+02 1.28 2.285706519e+02 1.30 2.010518789e+02 1.32 1.769663092e+02 1.34 1.559971175e+02 1.36 1.378491450e+02 1.38 1.222567289e+02 1.40 1.089603073e+02 1.42 9.767415658e+01 1.44 8.807665153e+01 1.46 7.982372839e+01 1.48 7.258099684e+01 1.50 6.607000966e+01 1.52 6.010611686e+01 1.54 5.459307691e+01 1.56 4.947952470e+01 1.58 4.473133582e+01 1.60 4.032749825e+01 1.62 3.625553338e+01 1.64 3.250532916e+01 1.66 2.906613521e+01 1.68 2.592599130e+01 1.70 2.307153038e+01 1.72 2.048780375e+01 1.74 1.815814647e+01 1.76 1.606410739e+01 1.78 1.418547962e+01 1.80 1.250048279e+01 1.82 1.098616356e+01 1.84 9.619087399e+00 1.86 8.376374054e+00 1.88 7.237054398e+00 1.90 6.183567452e+00 1.92 5.202985404e+00 1.94 4.287375754e+00 1.96 3.432878290e+00 1.98 2.637836219e+00 2.00 1.901167565e+00 2.02 1.221781000e+00 2.04 5.985670138e-01 2.06 3.040785421e-02 2.08 -4.838375700e-01 2.10 -9.453500312e-01 2.12 -1.355365924e+00 2.14 -1.715192737e+00 2.16 -2.026223948e+00 2.18 -2.289953210e+00 2.20 -2.507987654e+00 2.22 -2.682060072e+00 2.24 -2.814039735e+00 2.26 -2.905941510e+00 2.28 -2.959932923e+00 2.30 -2.978338760e+00 2.32 -2.963642738e+00 2.34 -2.918485776e+00 2.36 -2.845660338e+00 2.38 -2.748100337e+00 2.40 -2.628866102e+00 2.42 -2.491123962e+00 2.44 -2.338120097e+00 2.46 -2.173148458e+00 2.48 -1.999512750e+00 2.50 -1.820482791e+00 2.52 -1.639245851e+00 2.54 -1.458854080e+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