# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-Co--LAMMPS--ipr1 # composition = CoPd2 # 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 2.330864378e+03 0.86 2.155177171e+03 0.88 1.992273230e+03 0.90 1.841247818e+03 0.92 1.701258681e+03 0.94 1.571521834e+03 0.96 1.451307617e+03 0.98 1.339937021e+03 1.00 1.236778251e+03 1.02 1.141243521e+03 1.04 1.052786057e+03 1.06 9.708973059e+02 1.08 8.951043214e+02 1.10 8.249673342e+02 1.12 7.600774774e+02 1.14 7.000546673e+02 1.16 6.445456252e+02 1.18 5.932220325e+02 1.20 5.457788099e+02 1.22 5.019325121e+02 1.24 4.614198314e+02 1.26 4.239962019e+02 1.28 3.894344984e+02 1.30 3.575238240e+02 1.32 3.280683789e+02 1.34 3.008864075e+02 1.36 2.758092161e+02 1.38 2.526802584e+02 1.40 2.313542834e+02 1.42 2.116965411e+02 1.44 1.935820435e+02 1.46 1.768948759e+02 1.48 1.615275556e+02 1.50 1.473804350e+02 1.52 1.343611460e+02 1.54 1.223840822e+02 1.56 1.113699182e+02 1.58 1.012451608e+02 1.60 9.194173270e+01 1.62 8.339658448e+01 1.64 7.555133379e+01 1.66 6.835192994e+01 1.68 6.174834179e+01 1.70 5.569426767e+01 1.72 5.014686564e+01 1.74 4.506650274e+01 1.76 4.041652195e+01 1.78 3.616302563e+01 1.80 3.227467427e+01 1.82 2.872249956e+01 1.84 2.547973072e+01 1.86 2.252163316e+01 1.88 1.982535878e+01 1.90 1.736980684e+01 1.92 1.513549486e+01 1.94 1.310443876e+01 1.96 1.126004171e+01 1.98 9.586990824e+00 2.00 8.071161481e+00 2.02 6.699528477e+00 2.04 5.460083636e+00 2.06 4.341759425e+00 2.08 3.334358120e+00 2.10 2.428486136e+00 2.12 1.615493171e+00 2.14 8.874158065e-01 2.16 2.369252431e-01 2.18 -3.427211059e-01 2.20 -8.577244539e-01 2.22 -1.313786168e+00 2.24 -1.716146213e+00 2.26 -2.069618741e+00 2.28 -2.378625032e+00 2.30 -2.647223977e+00 2.32 -2.879140275e+00 2.34 -3.077790524e+00 2.36 -3.246307339e+00 2.38 -3.387561665e+00 2.40 -3.504183394e+00 2.42 -3.598580421e+00 2.44 -3.672956262e+00 2.46 -3.729326318e+00 2.48 -3.769532905e+00 2.50 -3.795259129e+00 2.52 -3.808041700e+00 2.54 -3.809282758e+00 2.56 -3.800260781e+00 2.58 -3.782140656e+00 2.60 -3.755982963e+00 2.62 -3.722752539e+00 2.64 -3.683326370e+00 2.66 -3.638500864e+00 2.68 -3.588998559e+00 2.70 -3.535474292e+00 2.72 -3.478520890e+00 2.74 -3.418674400e+00 2.76 -3.356418909e+00 2.78 -3.292190977e+00 2.80 -3.226383711e+00 2.82 -3.159350519e+00 2.84 -3.091408552e+00 2.86 -3.022841871e+00 2.88 -2.953904358e+00 2.90 -2.884822385e+00 2.92 -2.815797266e+00 2.94 -2.747007510e+00 2.96 -2.678610880e+00 2.98 -2.610746288e+00 3.00 -2.543535529e+00 3.02 -2.477084872e+00 3.04 -2.411486509e+00 3.06 -2.346819893e+00 3.08 -2.283152955e+00 3.10 -2.220543214e+00 3.12 -2.159038803e+00 3.14 -2.098679391e+00 3.16 -2.039497041e+00 3.18 -1.981516978e+00 3.20 -1.924758301e+00 3.22 -1.869234624e+00 3.24 -1.814954665e+00 3.26 -1.761922778e+00 3.28 -1.710139444e+00 3.30 -1.659601705e+00 3.32 -1.610303572e+00 3.34 -1.562236384e+00 3.36 -1.515389143e+00 3.38 -1.469748808e+00 3.40 -1.425300568e+00 3.42 -1.382028086e+00 3.44 -1.339913720e+00 3.46 -1.298938723e+00 3.48 -1.259083419e+00 3.50 -1.220327367e+00 3.52 -1.182649508e+00 3.54 -1.146028289e+00 3.56 -1.110441783e+00 3.58 -1.075867794e+00 3.60 -1.042283946e+00 3.62 -1.009667766e+00 3.64 -9.779967617e-01 3.66 -9.472484784e-01 3.68 -9.174005617e-01 3.70 -8.884308052e-01 3.72 -8.603171943e-01 3.74 -8.330379446e-01 3.76 -8.065715347e-01 3.78 -7.808967343e-01 3.80 -7.559926284e-01 3.82 -7.318077763e-01 3.84 -7.056330458e-01 3.86 -6.652142867e-01 3.88 -5.987204997e-01 3.90 -5.464899117e-01 3.92 -5.285702534e-01 3.94 -5.112106273e-01 3.96 -4.943951434e-01 3.98 -4.781082462e-01 4.00 -4.623347185e-01 4.02 -4.470596832e-01 4.04 -4.322686045e-01 4.06 -4.179472876e-01 4.08 -4.040818781e-01 4.10 -3.906588601e-01 4.12 -3.776650535e-01 4.14 -3.650876114e-01 4.16 -3.529140165e-01 4.18 -3.411320765e-01 4.20 -3.297299204e-01 4.22 -3.186959932e-01 4.24 -3.080190511e-01 4.26 -2.976881560e-01 4.28 -2.876926701e-01 4.30 -2.780222501e-01 4.32 -2.686668415e-01 4.34 -2.596166725e-01 4.36 -2.508622483e-01 4.38 -2.423943447e-01 4.40 -2.342040023e-01 4.42 -2.259007560e-01 4.44 -2.126757195e-01 4.46 -1.811206376e-01 4.48 -1.068229391e-01 4.50 -1.436516161e-22 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