# 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 = MoZr2 # 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 4.460621058e+02 1.16 4.131075066e+02 1.18 3.827271675e+02 1.20 3.546952798e+02 1.22 3.288079271e+02 1.24 3.048821689e+02 1.26 2.827542950e+02 1.28 2.622766748e+02 1.30 2.433149529e+02 1.32 2.257464911e+02 1.34 2.094591576e+02 1.36 1.943502974e+02 1.38 1.803260924e+02 1.40 1.673007959e+02 1.42 1.551956004e+02 1.44 1.439377119e+02 1.46 1.334600895e+02 1.48 1.237017069e+02 1.50 1.146077598e+02 1.52 1.061295375e+02 1.54 9.822388015e+01 1.56 9.085257689e+01 1.58 8.398171732e+01 1.60 7.758080003e+01 1.62 7.162151114e+01 1.64 6.607661685e+01 1.66 6.091928110e+01 1.68 5.612298212e+01 1.70 5.166193682e+01 1.72 4.751155632e+01 1.74 4.364878893e+01 1.76 4.005226222e+01 1.78 3.670231751e+01 1.80 3.358091239e+01 1.82 3.067146775e+01 1.84 2.795865150e+01 1.86 2.542910767e+01 1.88 2.307101394e+01 1.90 2.087274537e+01 1.92 1.882576574e+01 1.94 1.692118585e+01 1.96 1.514989010e+01 1.98 1.350333093e+01 2.00 1.197345568e+01 2.02 1.055264237e+01 2.04 9.233635112e+00 2.06 8.009478007e+00 2.08 6.873458292e+00 2.10 5.819108827e+00 2.12 4.840252547e+00 2.14 3.931087813e+00 2.16 3.086289365e+00 2.18 2.301054522e+00 2.20 1.571109735e+00 2.22 8.926356041e-01 2.24 2.621940370e-01 2.26 -3.233225566e-01 2.28 -8.667349562e-01 2.30 -1.370557681e+00 2.32 -1.837062871e+00 2.34 -2.268295472e+00 2.36 -2.666153593e+00 2.38 -3.032444463e+00 2.40 -3.368934229e+00 2.42 -3.677391430e+00 2.44 -3.959592011e+00 2.46 -4.217322537e+00 2.48 -4.452350738e+00 2.50 -4.666384850e+00 2.52 -4.861032045e+00 2.54 -5.037767449e+00 2.56 -5.197919412e+00 2.58 -5.342671242e+00 2.60 -5.473076346e+00 2.62 -5.590078854e+00 2.64 -5.694552173e+00 2.66 -5.787376203e+00 2.68 -5.869401688e+00 2.70 -5.941215917e+00 2.72 -6.003410982e+00 2.74 -6.056584360e+00 2.76 -6.101326441e+00 2.78 -6.138202403e+00 2.80 -6.167754128e+00 2.82 -6.190407034e+00 2.84 -6.206327624e+00 2.86 -6.215608974e+00 2.88 -6.218349614e+00 2.90 -6.214655043e+00 2.92 -6.204631475e+00 2.94 -6.188381579e+00 2.96 -6.166001936e+00 2.98 -6.137582214e+00 3.00 -6.103206150e+00 3.02 -6.062941529e+00 3.04 -6.016742287e+00 3.06 -5.964555560e+00 3.08 -5.906351230e+00 3.10 -5.842155532e+00 3.12 -5.772044322e+00 3.14 -5.696157928e+00 3.16 -5.614680135e+00 3.18 -5.527848597e+00 3.20 -5.435944342e+00 3.22 -5.339284554e+00 3.24 -5.238216888e+00 3.26 -5.133116734e+00 3.28 -5.024387328e+00 3.30 -4.912461100e+00 3.32 -4.797800111e+00 3.34 -4.680893958e+00 3.36 -4.562254830e+00 3.38 -4.442410477e+00 3.40 -4.321893738e+00 3.42 -4.201245012e+00 3.44 -4.080987026e+00 3.46 -3.961627841e+00 3.48 -3.843647754e+00 3.50 -3.727488693e+00 3.52 -3.613543678e+00 3.54 -3.502147528e+00 3.56 -3.393569931e+00 3.58 -3.288011760e+00 3.60 -3.185604989e+00 3.62 -3.086416103e+00 3.64 -2.990452518e+00 3.66 -2.897671280e+00 3.68 -2.807989291e+00 3.70 -2.721294331e+00 3.72 -2.637456272e+00 3.74 -2.556337973e+00 3.76 -2.477805404e+00 3.78 -2.401736514e+00 3.80 -2.328028277e+00 3.82 -2.256601310e+00 3.84 -2.187401437e+00 3.86 -2.120397855e+00 3.88 -2.055577944e+00 3.90 -1.992939424e+00 3.92 -1.932476161e+00 3.94 -1.874190138e+00 3.96 -1.818051261e+00 3.98 -1.764016585e+00 4.00 -1.712023243e+00 4.02 -1.661990544e+00 4.04 -1.613824120e+00 4.06 -1.567421056e+00 4.08 -1.522675038e+00 4.10 -1.479474501e+00 4.12 -1.437732715e+00 4.14 -1.397348194e+00 4.16 -1.358235594e+00 4.18 -1.320318389e+00 4.20 -1.283528778e+00 4.22 -1.247807162e+00 4.24 -1.213101388e+00 4.26 -1.179365845e+00 4.28 -1.146560552e+00 4.30 -1.114650269e+00 4.32 -1.083603684e+00 4.34 -1.053392693e+00 4.36 -1.023991790e+00 4.38 -9.953775460e-01 4.40 -9.675281925e-01 4.42 -9.404232831e-01 4.44 -9.140434274e-01 4.46 -8.883700851e-01 4.48 -8.633854076e-01 4.50 -8.390721185e-01 4.52 -8.154134243e-01 4.54 -7.923929471e-01 4.56 -7.699946752e-01 4.58 -7.482029255e-01 4.60 -7.270023154e-01 4.62 -7.063777406e-01 4.64 -6.863143579e-01 4.66 -6.667975691e-01 4.68 -6.478130081e-01 4.70 -6.293465277e-01 4.72 -6.113841863e-01 4.74 -5.939122353e-01 4.76 -5.769171042e-01 4.78 -5.603853863e-01 4.80 -5.442955441e-01 4.82 -5.286524099e-01 4.84 -5.134330391e-01 4.86 -4.986245503e-01 4.88 -4.842141265e-01 4.90 -4.701889950e-01 4.92 -4.565364078e-01 4.94 -4.432436210e-01 4.96 -4.302978755e-01 4.98 -4.176863784e-01 5.00 -4.053962889e-01 5.02 -3.934147066e-01 5.04 -3.817286681e-01 5.06 -3.703251510e-01 5.08 -3.591910904e-01 5.10 -3.483134104e-01 5.12 -3.376790746e-01 5.14 -3.272751601e-01 5.16 -3.170889596e-01 5.18 -3.071081158e-01 5.20 -2.973207922e-01 5.22 -2.877158826e-01 5.24 -2.782832598e-01 5.26 -2.690140595e-01 5.28 -2.599009930e-01 5.30 -2.509386736e-01 5.32 -2.421239372e-01 5.34 -2.334561294e-01 5.36 -2.249373263e-01 5.38 -2.165724522e-01 5.40 -2.083692581e-01 5.42 -2.003381297e-01 5.44 -1.924917089e-01 5.46 -1.848443273e-01 5.48 -1.774112735e-01 5.50 -1.702079422e-01 5.52 -1.632489290e-01 5.54 -1.565471479e-01 5.56 -1.501130488e-01 5.58 -1.439540040e-01 5.60 -1.380736002e-01 5.62 -1.324719403e-01 5.64 -1.271460024e-01 5.66 -1.220893524e-01 5.68 -1.172925795e-01 5.70 -1.127438307e-01 5.72 -1.084293852e-01 5.74 -1.043342221e-01 5.76 -1.004425446e-01 5.78 -9.673823527e-02 5.80 -9.320523314e-02 5.82 -8.982782757e-02 5.84 -8.659087557e-02 5.86 -8.347995132e-02 5.88 -8.048144032e-02 5.90 -7.758259066e-02 5.92 -7.477153399e-02 5.94 -7.203728728e-02 5.96 -6.936974517e-02 5.98 -6.675967086e-02 6.00 -6.419869178e-02