# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-Ge # implementation = 1989--Tersoff-J--Si-Ge--LAMMPS--ipr1 # composition = GeSi2 # 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 3.959624867e+03 0.68 3.553302003e+03 0.70 3.202773963e+03 0.72 2.898488816e+03 0.74 2.633619733e+03 0.76 2.394454391e+03 0.78 2.178184576e+03 0.80 1.984088350e+03 0.82 1.807595525e+03 0.84 1.642727014e+03 0.86 1.493576677e+03 0.88 1.364642416e+03 0.90 1.255160333e+03 0.92 1.158745564e+03 0.94 1.068367508e+03 0.96 9.825403840e+02 0.98 9.004480343e+02 1.00 8.243845827e+02 1.02 7.563785022e+02 1.04 6.956650528e+02 1.06 6.415187690e+02 1.08 5.913448221e+02 1.10 5.445401159e+02 1.12 4.990769265e+02 1.14 4.558606818e+02 1.16 4.172664161e+02 1.18 3.837493810e+02 1.20 3.540233436e+02 1.22 3.285371070e+02 1.24 3.049066830e+02 1.26 2.828108454e+02 1.28 2.625419568e+02 1.30 2.442759614e+02 1.32 2.276910096e+02 1.34 2.124749848e+02 1.36 1.983709978e+02 1.38 1.847313721e+02 1.40 1.715920238e+02 1.42 1.591022362e+02 1.44 1.473878046e+02 1.46 1.356751597e+02 1.48 1.238971314e+02 1.50 1.124940319e+02 1.52 1.016183232e+02 1.54 9.142273876e+01 1.56 8.239374051e+01 1.58 7.504616541e+01 1.60 6.958227147e+01 1.62 6.478160903e+01 1.64 6.028783925e+01 1.66 5.605456413e+01 1.68 5.173456567e+01 1.70 4.729564077e+01 1.72 4.281606956e+01 1.74 3.822719595e+01 1.76 3.359164303e+01 1.78 2.906278163e+01 1.80 2.484343523e+01 1.82 2.118403933e+01 1.84 1.830192192e+01 1.86 1.589007597e+01 1.88 1.382489091e+01 1.90 1.223466842e+01 1.92 1.091778480e+01 1.94 9.692163532e+00 1.96 8.552298783e+00 1.98 7.492996449e+00 2.00 6.509357060e+00 2.02 5.596759630e+00 2.04 4.750846374e+00 2.06 3.967508252e+00 2.08 3.242871285e+00 2.10 2.573283612e+00 2.12 1.955303245e+00 2.14 1.385686484e+00 2.16 8.613769568e-01 2.18 3.794952556e-01 2.20 -6.267087249e-02 2.22 -4.676757994e-01 2.24 -8.379247895e-01 2.26 -1.175682298e+00 2.28 -1.483079817e+00 2.30 -1.762123300e+00 2.32 -2.014700176e+00 2.34 -2.242627937e+00 2.36 -2.452674258e+00 2.38 -2.645648034e+00 2.40 -2.818468982e+00 2.42 -2.970379941e+00 2.44 -3.103201423e+00 2.46 -3.221199051e+00 2.48 -3.330388253e+00 2.50 -3.437122936e+00 2.52 -3.545871762e+00 2.54 -3.656183249e+00 2.56 -3.758985629e+00 2.58 -3.833077486e+00 2.60 -3.849080343e+00 2.62 -3.832555869e+00 2.64 -3.811134399e+00 2.66 -3.785243543e+00 2.68 -3.755283863e+00 2.70 -3.721630396e+00 2.72 -3.684634093e+00 2.74 -3.644623178e+00 2.76 -3.593506330e+00 2.78 -3.486181544e+00 2.80 -3.318485413e+00 2.82 -3.095024862e+00 2.84 -2.822292287e+00 2.86 -2.508767196e+00 2.88 -2.164930756e+00 2.90 -1.803162453e+00 2.92 -1.437492219e+00 2.94 -1.083184653e+00 2.96 -7.561348115e-01 2.98 -4.720588374e-01 3.00 -2.454712535e-01 3.02 -8.845804364e-02 3.04 -9.275702332e-03 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