# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ni2W # 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 2024-04-11 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 2.405550363e+02 1.16 2.202876461e+02 1.18 2.017695857e+02 1.20 1.848276744e+02 1.22 1.693062473e+02 1.24 1.550695156e+02 1.26 1.420006669e+02 1.28 1.299989129e+02 1.30 1.189752064e+02 1.32 1.088484771e+02 1.34 9.954410842e+01 1.36 9.099357018e+01 1.38 8.313355498e+01 1.40 7.590509765e+01 1.42 6.925365390e+01 1.44 6.312967966e+01 1.46 5.748873536e+01 1.48 5.229091551e+01 1.50 4.750011037e+01 1.52 4.308360977e+01 1.54 3.901202494e+01 1.56 3.525908733e+01 1.58 3.180179790e+01 1.60 2.861913600e+01 1.62 2.569130512e+01 1.64 2.300033695e+01 1.66 2.052987951e+01 1.68 1.826475238e+01 1.70 1.619043089e+01 1.72 1.429261706e+01 1.74 1.255706893e+01 1.76 1.096970243e+01 1.78 9.516909168e+00 1.80 8.185950009e+00 1.82 6.965288677e+00 1.84 5.844797516e+00 1.86 4.815816496e+00 1.88 3.871068846e+00 1.90 3.004458304e+00 1.92 2.210794898e+00 1.94 1.485510412e+00 1.96 8.244203401e-01 1.98 2.235598066e-01 2.00 -3.209175448e-01 2.02 -8.128071523e-01 2.04 -1.255906417e+00 2.06 -1.654050441e+00 2.08 -2.011116740e+00 2.10 -2.330987562e+00 2.12 -2.617351450e+00 2.14 -2.873810230e+00 2.16 -3.104065371e+00 2.18 -3.311341346e+00 2.20 -3.498337252e+00 2.22 -3.667191558e+00 2.24 -3.818887800e+00 2.26 -3.953948592e+00 2.28 -4.073100153e+00 2.30 -4.177210822e+00 2.32 -4.267248513e+00 2.34 -4.344253828e+00 2.36 -4.409305573e+00 2.38 -4.463467728e+00 2.40 -4.507727685e+00 2.42 -4.542947934e+00 2.44 -4.569848095e+00 2.46 -4.589019289e+00 2.48 -4.600952116e+00 2.50 -4.606074220e+00 2.52 -4.604783720e+00 2.54 -4.597466515e+00 2.56 -4.584504907e+00 2.58 -4.566280736e+00 2.60 -4.543176334e+00 2.62 -4.515519758e+00 2.64 -4.483354664e+00 2.66 -4.446701156e+00 2.68 -4.405669955e+00 2.70 -4.360457767e+00 2.72 -4.311340564e+00 2.74 -4.258661200e+00 2.76 -4.202809037e+00 2.78 -4.144192478e+00 2.80 -4.083208780e+00 2.82 -4.020217455e+00 2.84 -3.955522586e+00 2.86 -3.889366121e+00 2.88 -3.821930661e+00 2.90 -3.753348044e+00 2.92 -3.683709880e+00 2.94 -3.613077262e+00 2.96 -3.541488404e+00 2.98 -3.468964098e+00 3.00 -3.395511502e+00 3.02 -3.321126965e+00 3.04 -3.245798450e+00 3.06 -3.169507890e+00 3.08 -3.092233595e+00 3.10 -3.013952656e+00 3.12 -2.934643227e+00 3.14 -2.854286612e+00 3.16 -2.772869176e+00 3.18 -2.690384242e+00 3.20 -2.606834239e+00 3.22 -2.522233405e+00 3.24 -2.436611345e+00 3.26 -2.350017574e+00 3.28 -2.262527047e+00 3.30 -2.174246372e+00 3.32 -2.085320232e+00 3.34 -1.995937233e+00 3.36 -1.906334281e+00 3.38 -1.816798493e+00 3.40 -1.727665748e+00 3.42 -1.639315198e+00 3.44 -1.552159493e+00 3.46 -1.466631002e+00 3.48 -1.383164887e+00 3.50 -1.302180389e+00 3.52 -1.224062058e+00 3.54 -1.149142701e+00 3.56 -1.077689681e+00 3.58 -1.009895729e+00 3.60 -9.458748794e-01 3.62 -8.856635157e-01 3.64 -8.292259945e-01 3.66 -7.764639180e-01 3.68 -7.272279444e-01 3.70 -6.813309860e-01 3.72 -6.385617420e-01 3.74 -5.986976719e-01 3.76 -5.615166850e-01 3.78 -5.268069814e-01 3.80 -4.943746011e-01 3.82 -4.640483620e-01 3.84 -4.356820111e-01 3.86 -4.091536138e-01 3.88 -3.843624710e-01 3.90 -3.612241463e-01 3.92 -3.396644402e-01 3.94 -3.196132783e-01 3.96 -3.009994287e-01 3.98 -2.837467264e-01 4.00 -2.677721271e-01 4.02 -2.529855334e-01 4.04 -2.392910419e-01 4.06 -2.265890959e-01 4.08 -2.147790151e-01 4.10 -2.037614751e-01 4.12 -1.934405014e-01 4.14 -1.837247196e-01 4.16 -1.745302429e-01 4.18 -1.657799438e-01 4.20 -1.574037460e-01 4.22 -1.493389324e-01 4.24 -1.415303003e-01 4.26 -1.339302814e-01 4.28 -1.264991046e-01 4.30 -1.192050364e-01 4.32 -1.120246921e-01 4.34 -1.049433698e-01 4.36 -9.795532511e-02 4.38 -9.106387191e-02 4.40 -8.428118437e-02 4.42 -7.762768034e-02 4.44 -7.113089986e-02 4.46 -6.482385290e-02 4.48 -5.874289054e-02 4.50 -5.292524124e-02 4.52 -4.740642718e-02 4.54 -4.221781749e-02 4.56 -3.738457042e-02 4.58 -3.292416557e-02 4.60 -2.884564007e-02 4.62 -2.514954072e-02 4.64 -2.182851051e-02 4.66 -1.886835882e-02 4.68 -1.624943397e-02 4.70 -1.394811887e-02 4.72 -1.193828285e-02 4.74 -1.019230699e-02 4.76 -8.682933750e-03 4.78 -7.383782489e-03 4.80 -6.269757864e-03 4.82 -5.317520633e-03 4.84 -4.505755797e-03 4.86 -3.815283646e-03 4.88 -3.229054858e-03 4.90 -2.732065696e-03 4.92 -2.311222294e-03 4.94 -1.955176380e-03 4.96 -1.654148881e-03 4.98 -1.399752912e-03 5.00 -1.184823754e-03 5.02 -1.003260452e-03 5.04 -8.498815328e-04 5.06 -7.202957799e-04 5.08 -6.107880357e-04 5.10 -5.182193179e-04 5.12 -4.399401879e-04 5.14 -3.737161115e-04 5.16 -3.176635006e-04 5.18 -2.701951470e-04 5.20 -2.299738327e-04 5.22 -1.958730053e-04 5.24 -1.669435187e-04 5.26 -1.423855550e-04 5.28 -1.215249536e-04 5.30 -1.037932795e-04 5.32 -8.871105155e-05 5.34 -7.587364051e-05 5.36 -6.493941482e-05 5.38 -5.561977895e-05 5.40 -4.767080255e-05 5.42 -4.088618629e-05 5.44 -3.509134994e-05 5.46 -3.013846266e-05 5.48 -2.590226396e-05 5.50 -2.227654829e-05 5.52 -1.917120665e-05 5.54 -1.650973574e-05 5.56 -1.422713978e-05 5.58 -1.226816209e-05 5.60 -1.058579375e-05 5.62 -9.140015312e-06 5.64 -7.896734288e-06 5.66 -6.826887633e-06 5.68 -5.905682936e-06 5.70 -5.111956567e-06 5.72 -4.427630367e-06 5.74 -3.837251450e-06 5.76 -3.327602154e-06 5.78 -2.887369220e-06 5.80 -2.506863022e-06 5.82 -2.177779117e-06 5.84 -1.892995599e-06 5.86 -1.646400767e-06 5.88 -1.432746473e-06 5.90 -1.247523242e-06 5.92 -1.086853865e-06 5.94 -9.474026621e-07 5.96 -8.262980697e-07 5.98 -7.210665432e-07 6.00 -6.295760908e-07