# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Wang-Z-Q-Stroud-D-Markworth-A-J--Cd-Te # implementation = 1989--Wang-Z-Q--Cd-Te--LAMMPS--ipr1 # composition = CdTe2 # 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 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 2.150629995e+04 0.86 1.864232719e+04 0.88 1.620032624e+04 0.90 1.411771587e+04 0.92 1.234564293e+04 0.94 1.083906995e+04 0.96 9.550531917e+03 0.98 8.436570186e+03 1.00 7.464897167e+03 1.02 6.612869188e+03 1.04 5.863881287e+03 1.06 5.206317266e+03 1.08 4.631014642e+03 1.10 4.128562321e+03 1.12 3.689396150e+03 1.14 3.304928716e+03 1.16 2.967835666e+03 1.18 2.671488630e+03 1.20 2.409733100e+03 1.22 2.176700008e+03 1.24 1.967219360e+03 1.26 1.777697176e+03 1.28 1.606111869e+03 1.30 1.451172590e+03 1.32 1.311794272e+03 1.34 1.186973283e+03 1.36 1.075611493e+03 1.38 9.764198902e+02 1.40 8.879986401e+02 1.42 8.089979397e+02 1.44 7.382570923e+02 1.46 6.748051383e+02 1.48 6.177624127e+02 1.50 5.663397416e+02 1.52 5.199200882e+02 1.54 4.780631546e+02 1.56 4.403928950e+02 1.58 4.064907930e+02 1.60 3.758775250e+02 1.62 3.480409095e+02 1.64 3.224846522e+02 1.66 2.987856967e+02 1.68 2.766345819e+02 1.70 2.558364002e+02 1.72 2.362818977e+02 1.74 2.179095350e+02 1.76 2.006695265e+02 1.78 1.845082104e+02 1.80 1.693693405e+02 1.82 1.551996737e+02 1.84 1.419549810e+02 1.86 1.296036738e+02 1.88 1.181250743e+02 1.90 1.075026930e+02 1.92 9.771776616e+01 1.94 8.874668333e+01 1.96 8.056045349e+01 1.98 7.312449549e+01 2.00 6.639858463e+01 2.02 6.033702418e+01 2.04 5.488913009e+01 2.06 5.000012728e+01 2.08 4.561253513e+01 2.10 4.166803709e+01 2.12 3.810965992e+01 2.14 3.488387743e+01 2.16 3.194220247e+01 2.18 2.924223531e+01 2.20 2.674880054e+01 2.22 2.443549788e+01 2.24 2.228544195e+01 2.26 2.028968764e+01 2.28 1.844365382e+01 2.30 1.674371150e+01 2.32 1.518567446e+01 2.34 1.376458165e+01 2.36 1.247466488e+01 2.38 1.130929970e+01 2.40 1.026096754e+01 2.42 9.321241006e+00 2.44 8.480805671e+00 2.46 7.729536321e+00 2.48 7.056650070e+00 2.50 6.450960582e+00 2.52 5.901253195e+00 2.54 5.396784379e+00 2.56 4.927874371e+00 2.58 4.486506702e+00 2.60 4.066783702e+00 2.62 3.665050523e+00 2.64 3.279558854e+00 2.66 2.909747420e+00 2.68 2.555483787e+00 2.70 2.216646482e+00 2.72 1.893068864e+00 2.74 1.584579282e+00 2.76 1.291011723e+00 2.78 1.012204678e+00 2.80 7.479993451e-01 2.82 4.982378302e-01 2.84 2.627613546e-01 2.86 4.140845926e-02 2.88 -1.659867885e-01 2.90 -3.595965890e-01 2.92 -5.396012015e-01 2.94 -7.061907285e-01 2.96 -8.595668891e-01 2.98 -9.999447733e-01 3.00 -1.127554568e+00 3.02 -1.242643240e+00 3.04 -1.345476171e+00 3.06 -1.436338708e+00 3.08 -1.515537630e+00 3.10 -1.583402489e+00 3.12 -1.640286804e+00 3.14 -1.686569076e+00 3.16 -1.722653579e+00 3.18 -1.748970888e+00 3.20 -1.765978101e+00 3.22 -1.774158691e+00 3.24 -1.774021934e+00 3.26 -1.766101857e+00 3.28 -1.750955625e+00 3.30 -1.729161310e+00 3.32 -1.701314958e+00 3.34 -1.668026899e+00 3.36 -1.629917219e+00 3.38 -1.587610361e+00 3.40 -1.541728797e+00 3.42 -1.492885790e+00 3.44 -1.441677258e+00 3.46 -1.388672865e+00 3.48 -1.334406493e+00 3.50 -1.279366414e+00 3.52 -1.223985575e+00 3.54 -1.168632636e+00 3.56 -1.113604558e+00 3.58 -1.059121788e+00 3.60 -1.005327245e+00 3.62 -9.522903940e-01 3.64 -9.000175259e-01 3.66 -8.484688396e-01 3.68 -7.975818251e-01 3.70 -7.472987595e-01 3.72 -6.975940248e-01 3.74 -6.484951883e-01 3.76 -6.000917349e-01 3.78 -5.525285168e-01 3.80 -5.059873619e-01 3.82 -4.606661785e-01 3.84 -4.167643710e-01 3.86 -3.744760291e-01 3.88 -3.339868057e-01 3.90 -2.954713887e-01 3.92 -2.590908226e-01 3.94 -2.249896410e-01 3.96 -1.932928373e-01 3.98 -1.641027191e-01 4.00 -1.374957121e-01 4.02 -1.135192033e-01 4.04 -9.218854714e-02 4.06 -7.348439663e-02 4.08 -5.735056687e-02 4.10 -4.369269093e-02 4.12 -3.237797998e-02 4.14 -2.323644420e-02 4.16 -1.606395418e-02 4.18 -1.062749890e-02 4.20 -6.672896583e-03 4.22 -3.934998052e-03 4.24 -2.150053876e-03 4.26 -1.069383936e-03 4.28 -4.728394784e-04 4.30 -1.799411521e-04 4.32 -5.631750183e-05 4.34 -1.357184556e-05 4.36 -2.280422286e-06 4.38 -2.283935160e-07 4.40 -1.048077774e-08 4.42 -1.366555422e-10 4.44 -1.923220679e-13 4.46 -2.920394585e-18 4.48 -3.750690347e-28 4.50 -5.022678556e-60 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