# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Nord-J-Albe-K-Erhart-P-Nordlund-K--Ga-N # implementation = Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_002 # 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 4.953300905e+03 0.68 4.423572288e+03 0.70 3.972253727e+03 0.72 3.592019869e+03 0.74 3.250429002e+03 0.76 2.946942008e+03 0.78 2.670008374e+03 0.80 2.421861639e+03 0.82 2.188702583e+03 0.84 1.977768241e+03 0.86 1.789481421e+03 0.88 1.627032797e+03 0.90 1.490384120e+03 0.92 1.374205272e+03 0.94 1.262288117e+03 0.96 1.153868238e+03 0.98 1.049528798e+03 1.00 9.512268561e+02 1.02 8.658143760e+02 1.04 7.975677650e+02 1.06 7.403087776e+02 1.08 6.868582451e+02 1.10 6.313638864e+02 1.12 5.758257797e+02 1.14 5.233444261e+02 1.16 4.762791033e+02 1.18 4.356648835e+02 1.20 3.996486546e+02 1.22 3.686939061e+02 1.24 3.428574348e+02 1.26 3.187633799e+02 1.28 2.959147749e+02 1.30 2.743864392e+02 1.32 2.539640227e+02 1.34 2.340511703e+02 1.36 2.144384948e+02 1.38 1.945926099e+02 1.40 1.742369782e+02 1.42 1.536805926e+02 1.44 1.327223279e+02 1.46 1.136392385e+02 1.48 9.863482155e+01 1.50 8.431155069e+01 1.52 7.031771952e+01 1.54 5.684295585e+01 1.56 4.456094170e+01 1.58 3.434956501e+01 1.60 2.707098488e+01 1.62 2.324206578e+01 1.64 2.107366077e+01 1.66 1.906797327e+01 1.68 1.709161104e+01 1.70 1.486351265e+01 1.72 1.250573680e+01 1.74 1.017721468e+01 1.76 8.021220677e+00 1.78 6.141306583e+00 1.80 4.590899477e+00 1.82 3.377551878e+00 1.84 2.477490327e+00 1.86 1.825596347e+00 1.88 1.253064512e+00 1.90 7.335187550e-01 1.92 2.629787334e-01 1.94 -1.622611533e-01 1.96 -5.456498833e-01 1.98 -8.903967718e-01 2.00 -1.199487342e+00 2.02 -1.475698177e+00 2.04 -1.721610815e+00 2.06 -1.939624750e+00 2.08 -2.131969592e+00 2.10 -2.300716442e+00 2.12 -2.447788535e+00 2.14 -2.574971181e+00 2.16 -2.683921076e+00 2.18 -2.776174995e+00 2.20 -2.853157923e+00 2.22 -2.916190658e+00 2.24 -2.966496912e+00 2.26 -3.005209949e+00 2.28 -3.033378791e+00 2.30 -3.051974005e+00 2.32 -3.061893124e+00 2.34 -3.063965699e+00 2.36 -3.059287799e+00 2.38 -3.055886016e+00 2.40 -3.051476740e+00 2.42 -3.038248238e+00 2.44 -3.009008256e+00 2.46 -2.958543945e+00 2.48 -2.884680392e+00 2.50 -2.788825784e+00 2.52 -2.675880448e+00 2.54 -2.553506448e+00 2.56 -2.430884284e+00 2.58 -2.317196101e+00 2.60 -2.220140788e+00 2.62 -2.144180626e+00 2.64 -2.075858632e+00 2.66 -2.008659494e+00 2.68 -1.942661730e+00 2.70 -1.877932054e+00 2.72 -1.805791032e+00 2.74 -1.718640113e+00 2.76 -1.618243753e+00 2.78 -1.506492419e+00 2.80 -1.385416776e+00 2.82 -1.257195083e+00 2.84 -1.124149969e+00 2.86 -9.887317415e-01 2.88 -8.534864319e-01 2.90 -7.210078112e-01 2.92 -5.938738043e-01 2.94 -4.745690225e-01 2.96 -3.653966462e-01 2.98 -2.683845556e-01 3.00 -1.851922934e-01 3.02 -1.170268910e-01 3.04 -6.457638646e-02 3.06 -2.796958626e-02 3.08 -6.768914804e-03 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