# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--LAMMPS--ipr1 # composition = AsGa2 # 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 nan 0.72 4.110153807e+03 0.74 3.712081369e+03 0.76 3.368291014e+03 0.78 3.059105060e+03 0.80 2.785911472e+03 0.82 2.547539781e+03 0.84 2.328409125e+03 0.86 2.134556828e+03 0.88 1.951119614e+03 0.90 1.776952546e+03 0.92 1.614990647e+03 0.94 1.473282079e+03 0.96 1.359176679e+03 0.98 1.265441527e+03 1.00 1.169028023e+03 1.02 1.067986370e+03 1.04 9.682891236e+02 1.06 8.772983113e+02 1.08 8.014522490e+02 1.10 7.429654269e+02 1.12 6.916407030e+02 1.14 6.421525000e+02 1.16 5.959079220e+02 1.18 5.503335267e+02 1.20 5.061722178e+02 1.22 4.634109018e+02 1.24 4.215964857e+02 1.26 3.826536134e+02 1.28 3.486479574e+02 1.30 3.211596118e+02 1.32 3.003265876e+02 1.34 2.821002488e+02 1.36 2.653177053e+02 1.38 2.495716815e+02 1.40 2.347850315e+02 1.42 2.205484673e+02 1.44 2.066200231e+02 1.46 1.932073230e+02 1.48 1.805295975e+02 1.50 1.687700779e+02 1.52 1.579398897e+02 1.54 1.463003308e+02 1.56 1.334769140e+02 1.58 1.195781632e+02 1.60 1.050336837e+02 1.62 9.037052160e+01 1.64 7.618437326e+01 1.66 6.316683281e+01 1.68 5.209066764e+01 1.70 4.370199079e+01 1.72 3.848672822e+01 1.74 3.519365240e+01 1.76 3.183227523e+01 1.78 2.849453519e+01 1.80 2.531458910e+01 1.82 2.240044678e+01 1.84 1.981873625e+01 1.86 1.759256162e+01 1.88 1.571073024e+01 1.90 1.414176726e+01 1.92 1.275225209e+01 1.94 1.145702995e+01 1.96 1.025038491e+01 1.98 9.099433863e+00 2.00 7.984744448e+00 2.02 6.917976097e+00 2.04 5.910640242e+00 2.06 4.973251879e+00 2.08 4.114538572e+00 2.10 3.340672716e+00 2.12 2.654445993e+00 2.14 2.054160614e+00 2.16 1.531808048e+00 2.18 1.070687467e+00 2.20 6.467789214e-01 2.22 2.470514918e-01 2.24 -1.214243620e-01 2.26 -4.601409769e-01 2.28 -7.709286350e-01 2.30 -1.055516772e+00 2.32 -1.315539218e+00 2.34 -1.552539175e+00 2.36 -1.767973941e+00 2.38 -1.963219405e+00 2.40 -2.139574307e+00 2.42 -2.298264290e+00 2.44 -2.444766967e+00 2.46 -2.586776313e+00 2.48 -2.717940317e+00 2.50 -2.831205579e+00 2.52 -2.920610456e+00 2.54 -2.982408630e+00 2.56 -3.015824469e+00 2.58 -3.023291282e+00 2.60 -3.010116312e+00 2.62 -2.983627089e+00 2.64 -2.951961848e+00 2.66 -2.922746509e+00 2.68 -2.901928412e+00 2.70 -2.888011536e+00 2.72 -2.870534249e+00 2.74 -2.849401461e+00 2.76 -2.824953073e+00 2.78 -2.797506766e+00 2.80 -2.767359269e+00 2.82 -2.734787572e+00 2.84 -2.700050063e+00 2.86 -2.663387605e+00 2.88 -2.625024562e+00 2.90 -2.585169763e+00 2.92 -2.534092395e+00 2.94 -2.462082345e+00 2.96 -2.369442264e+00 2.98 -2.256692424e+00 3.00 -2.124718169e+00 3.02 -1.974903238e+00 3.04 -1.809235898e+00 3.06 -1.630376611e+00 3.08 -1.441678014e+00 3.10 -1.247150378e+00 3.12 -1.051368543e+00 3.14 -8.593198125e-01 3.16 -6.761966128e-01 3.18 -5.071430494e-01 3.20 -3.569705947e-01 3.22 -2.298644969e-01 3.24 -1.291079212e-01 3.26 -5.685375562e-02 3.28 -1.397273854e-02 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