# 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 = NiZr2 # 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 3.245127232e+02 1.16 2.995669868e+02 1.18 2.766052165e+02 1.20 2.554576248e+02 1.22 2.359674279e+02 1.24 2.179910013e+02 1.26 2.013987117e+02 1.28 1.860738438e+02 1.30 1.719105278e+02 1.32 1.588123626e+02 1.34 1.466917528e+02 1.36 1.354698955e+02 1.38 1.250768075e+02 1.40 1.154502973e+02 1.42 1.065338375e+02 1.44 9.827450747e+01 1.46 9.062204928e+01 1.48 8.352906185e+01 1.50 7.695147982e+01 1.52 7.084880482e+01 1.54 6.518396929e+01 1.56 5.992317298e+01 1.58 5.503578216e+01 1.60 5.049415167e+01 1.62 4.627324202e+01 1.64 4.235019630e+01 1.66 3.870392284e+01 1.68 3.531479954e+01 1.70 3.216461844e+01 1.72 2.923652312e+01 1.74 2.651494610e+01 1.76 2.398549943e+01 1.78 2.163491007e+01 1.80 1.945160431e+01 1.82 1.742537413e+01 1.84 1.554557717e+01 1.86 1.380221432e+01 1.88 1.218591376e+01 1.90 1.068794403e+01 1.92 9.300172981e+00 1.94 8.014983502e+00 1.96 6.825196234e+00 1.98 5.724084103e+00 2.00 4.705424902e+00 2.02 3.763511738e+00 2.04 2.893114055e+00 2.06 2.089401314e+00 2.08 1.347852098e+00 2.10 6.642050478e-01 2.12 3.444163111e-02 2.14 -5.451995476e-01 2.16 -1.078188631e+00 2.18 -1.567712277e+00 2.20 -2.016696056e+00 2.22 -2.427879705e+00 2.24 -2.803863649e+00 2.26 -3.147117708e+00 2.28 -3.459979932e+00 2.30 -3.744595311e+00 2.32 -4.002946823e+00 2.34 -4.236839182e+00 2.36 -4.447948099e+00 2.38 -4.637843639e+00 2.40 -4.808012339e+00 2.42 -4.959885560e+00 2.44 -5.094843505e+00 2.46 -5.214230118e+00 2.48 -5.319339499e+00 2.50 -5.411390171e+00 2.52 -5.491495149e+00 2.54 -5.560639650e+00 2.56 -5.619810759e+00 2.58 -5.669722396e+00 2.60 -5.710821120e+00 2.62 -5.743525395e+00 2.64 -5.768254850e+00 2.66 -5.785430075e+00 2.68 -5.795498161e+00 2.70 -5.798935672e+00 2.72 -5.796156725e+00 2.74 -5.787290817e+00 2.76 -5.772486974e+00 2.78 -5.751963961e+00 2.80 -5.725994231e+00 2.82 -5.694847689e+00 2.84 -5.658795330e+00 2.86 -5.618096620e+00 2.88 -5.573000065e+00 2.90 -5.523745938e+00 2.92 -5.470573947e+00 2.94 -5.413727142e+00 2.96 -5.353453571e+00 2.98 -5.290006027e+00 3.00 -5.223640574e+00 3.02 -5.154614710e+00 3.04 -5.083178839e+00 3.06 -5.009601224e+00 3.08 -4.934060448e+00 3.10 -4.856716410e+00 3.12 -4.777749337e+00 3.14 -4.697368777e+00 3.16 -4.615795308e+00 3.18 -4.533265024e+00 3.20 -4.450018286e+00 3.22 -4.366290884e+00 3.24 -4.282306847e+00 3.26 -4.198274370e+00 3.28 -4.114384823e+00 3.30 -4.030813407e+00 3.32 -3.947719528e+00 3.34 -3.865245570e+00 3.36 -3.783514028e+00 3.38 -3.702624090e+00 3.40 -3.622646526e+00 3.42 -3.543634382e+00 3.44 -3.465607148e+00 3.46 -3.388567051e+00 3.48 -3.312500375e+00 3.50 -3.237382357e+00 3.52 -3.163181690e+00 3.54 -3.089864331e+00 3.56 -3.017396530e+00 3.58 -2.945747079e+00 3.60 -2.874888869e+00 3.62 -2.804799857e+00 3.64 -2.735463592e+00 3.66 -2.666869490e+00 3.68 -2.599013098e+00 3.70 -2.531896583e+00 3.72 -2.465529667e+00 3.74 -2.399931096e+00 3.76 -2.335130600e+00 3.78 -2.271171056e+00 3.80 -2.208110346e+00 3.82 -2.146022203e+00 3.84 -2.084995306e+00 3.86 -2.025130047e+00 3.88 -1.966532822e+00 3.90 -1.909308303e+00 3.92 -1.853545917e+00 3.94 -1.799331981e+00 3.96 -1.746711295e+00 3.98 -1.695706507e+00 4.00 -1.646311960e+00 4.02 -1.598496457e+00 4.04 -1.552207997e+00 4.06 -1.507379461e+00 4.08 -1.463934298e+00 4.10 -1.421786700e+00 4.12 -1.380865979e+00 4.14 -1.341087409e+00 4.16 -1.302376755e+00 4.18 -1.264665410e+00 4.20 -1.227890955e+00 4.22 -1.191997347e+00 4.24 -1.156934921e+00 4.26 -1.122660333e+00 4.28 -1.089136551e+00 4.30 -1.056332923e+00 4.32 -1.024225349e+00 4.34 -9.927965066e-01 4.36 -9.620360742e-01 4.38 -9.319408385e-01 4.40 -9.025145829e-01 4.42 -8.737676392e-01 4.44 -8.457160199e-01 4.46 -8.183800968e-01 4.48 -7.917828614e-01 4.50 -7.659478802e-01 4.52 -7.408971243e-01 4.54 -7.166488904e-01 4.56 -6.932160339e-01 4.58 -6.706046907e-01 4.60 -6.488135921e-01 4.62 -6.278339930e-01 4.64 -6.076501479e-01 4.66 -5.882402118e-01 4.68 -5.695774120e-01 4.70 -5.516313357e-01 4.72 -5.343691996e-01 4.74 -5.177570034e-01 4.76 -5.017605043e-01 4.78 -4.863459867e-01 4.80 -4.714725555e-01 4.82 -4.571270037e-01 4.84 -4.432699460e-01 4.86 -4.298737366e-01 4.88 -4.169124939e-01 4.90 -4.043620268e-01 4.92 -3.921997165e-01 4.94 -3.804043713e-01 4.96 -3.689560683e-01 4.98 -3.578359956e-01 5.00 -3.470262995e-01 5.02 -3.365099447e-01 5.04 -3.262705920e-01 5.06 -3.162924953e-01 5.08 -3.065604232e-01 5.10 -2.970596068e-01 5.12 -2.877757172e-01 5.14 -2.786948766e-01 5.16 -2.698037066e-01 5.18 -2.610894157e-01 5.20 -2.525399316e-01 5.22 -2.441440763e-01 5.24 -2.358917875e-01 5.26 -2.277743783e-01 5.28 -2.197848301e-01 5.30 -2.119181021e-01 5.32 -2.041714383e-01 5.34 -1.965446428e-01 5.36 -1.890402910e-01 5.38 -1.816638396e-01 5.40 -1.744235984e-01 5.42 -1.673305335e-01 5.44 -1.603978838e-01 5.46 -1.536405919e-01 5.48 -1.470745689e-01 5.50 -1.407158409e-01 5.52 -1.345796429e-01 5.54 -1.286795355e-01 5.56 -1.230266218e-01 5.58 -1.176289334e-01 5.60 -1.124907256e-01 5.62 -1.076127709e-01 5.64 -1.029927286e-01 5.66 -9.862485450e-02 5.68 -9.450043706e-02 5.70 -9.060833261e-02 5.72 -8.693554125e-02 5.74 -8.346777544e-02 5.76 -8.018998463e-02 5.78 -7.708681203e-02 5.80 -7.414297126e-02 5.82 -7.134354054e-02 5.84 -6.867417910e-02 5.86 -6.612127539e-02 5.88 -6.367203871e-02 5.90 -6.131454696e-02 5.92 -5.903776262e-02 5.94 -5.683152784e-02 5.96 -5.468654828e-02 5.98 -5.259437323e-02 6.00 -5.054737832e-02