# 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 = Co2Ti # 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 2.096730593e+02 1.16 1.923321939e+02 1.18 1.764467960e+02 1.20 1.618824812e+02 1.22 1.485201295e+02 1.24 1.362542739e+02 1.26 1.249911073e+02 1.28 1.146458850e+02 1.30 1.051405360e+02 1.32 9.640243122e+01 1.34 8.836458676e+01 1.36 8.096633826e+01 1.38 7.415336482e+01 1.40 6.787702794e+01 1.42 6.209335293e+01 1.44 5.676207626e+01 1.46 5.184625811e+01 1.48 4.731235144e+01 1.50 4.313011413e+01 1.52 3.927207753e+01 1.54 3.571292316e+01 1.56 3.242922091e+01 1.58 2.940040434e+01 1.60 2.660864027e+01 1.62 2.403564489e+01 1.64 2.166448695e+01 1.66 1.947951028e+01 1.68 1.746618401e+01 1.70 1.561102028e+01 1.72 1.390153736e+01 1.74 1.232623163e+01 1.76 1.087454990e+01 1.78 9.536879285e+00 1.80 8.304557951e+00 1.82 7.169858168e+00 1.84 6.125882006e+00 1.86 5.166377890e+00 1.88 4.285532124e+00 1.90 3.477789942e+00 1.92 2.737746035e+00 1.94 2.060137200e+00 1.96 1.439933007e+00 1.98 8.724646151e-01 2.00 3.535074769e-01 2.02 -1.207227517e-01 2.04 -5.536380641e-01 2.06 -9.483580827e-01 2.08 -1.307763576e+00 2.10 -1.634518027e+00 2.12 -1.931075324e+00 2.14 -2.199691149e+00 2.16 -2.442438365e+00 2.18 -2.661219394e+00 2.20 -2.857774253e+00 2.22 -3.033692189e+00 2.24 -3.190433092e+00 2.26 -3.329357631e+00 2.28 -3.451757779e+00 2.30 -3.558877237e+00 2.32 -3.651914908e+00 2.34 -3.732063137e+00 2.36 -3.800435352e+00 2.38 -3.857999030e+00 2.40 -3.905433912e+00 2.42 -3.943375842e+00 2.44 -3.972452286e+00 2.46 -3.993291964e+00 2.48 -4.006515519e+00 2.50 -4.012601929e+00 2.52 -4.011947157e+00 2.54 -4.004835443e+00 2.56 -3.991549420e+00 2.58 -3.972431216e+00 2.60 -3.947865495e+00 2.62 -3.918260208e+00 2.64 -3.884025265e+00 2.66 -3.845552607e+00 2.68 -3.803203917e+00 2.70 -3.757307252e+00 2.72 -3.708160903e+00 2.74 -3.656040225e+00 2.76 -3.601203786e+00 2.78 -3.543896976e+00 2.80 -3.484353330e+00 2.82 -3.422793714e+00 2.84 -3.359425673e+00 2.86 -3.294443215e+00 2.88 -3.228028328e+00 2.90 -3.160354875e+00 2.92 -3.091595251e+00 2.94 -3.021929658e+00 2.96 -2.951556933e+00 2.98 -2.880704684e+00 3.00 -2.809635288e+00 3.02 -2.738644035e+00 3.04 -2.668046922e+00 3.06 -2.598158815e+00 3.08 -2.529266562e+00 3.10 -2.461604308e+00 3.12 -2.395337741e+00 3.14 -2.330561035e+00 3.16 -2.267304482e+00 3.18 -2.205549961e+00 3.20 -2.145248183e+00 3.22 -2.086334262e+00 3.24 -2.028739515e+00 3.26 -1.972399050e+00 3.28 -1.917255755e+00 3.30 -1.863261644e+00 3.32 -1.810377556e+00 3.34 -1.758572022e+00 3.36 -1.707819942e+00 3.38 -1.658101456e+00 3.40 -1.609401292e+00 3.42 -1.561708797e+00 3.44 -1.515018298e+00 3.46 -1.469330094e+00 3.48 -1.424651367e+00 3.50 -1.380996728e+00 3.52 -1.338387866e+00 3.54 -1.296851918e+00 3.56 -1.256418429e+00 3.58 -1.217115201e+00 3.60 -1.178963750e+00 3.62 -1.141975273e+00 3.64 -1.106148030e+00 3.66 -1.071466597e+00 3.68 -1.037903000e+00 3.70 -1.005419282e+00 3.72 -9.739708079e-01 3.74 -9.435096595e-01 3.76 -9.139875887e-01 3.78 -8.853582551e-01 3.80 -8.575786656e-01 3.82 -8.306098802e-01 3.84 -8.044171288e-01 3.86 -7.789695098e-01 3.88 -7.542394339e-01 3.90 -7.302019504e-01 3.92 -7.068340595e-01 3.94 -6.841140838e-01 3.96 -6.620211404e-01 3.98 -6.405347400e-01 4.00 -6.196345222e-01 4.02 -5.993001288e-01 4.04 -5.795112163e-01 4.06 -5.602476059e-01 4.08 -5.414895695e-01 4.10 -5.232181692e-01 4.12 -5.054161300e-01 4.14 -4.880679523e-01 4.16 -4.711609743e-01 4.18 -4.546859508e-01 4.20 -4.386376211e-01 4.22 -4.230150516e-01 4.24 -4.078216339e-01 4.26 -3.930646406e-01 4.28 -3.787542980e-01 4.30 -3.649024161e-01 4.32 -3.515207101e-01 4.34 -3.386190286e-01 4.36 -3.262037386e-01 4.38 -3.142764977e-01 4.40 -3.028335677e-01 4.42 -2.918657184e-01 4.44 -2.813586601e-01 4.46 -2.712938680e-01 4.48 -2.616496259e-01 4.50 -2.524021215e-01 4.52 -2.435264637e-01 4.54 -2.349975382e-01 4.56 -2.267906679e-01 4.58 -2.188820780e-01 4.60 -2.112491923e-01 4.62 -2.038707980e-01 4.64 -1.967271212e-01 4.66 -1.897998503e-01 4.68 -1.830721406e-01 4.70 -1.765286263e-01 4.72 -1.701554589e-01 4.74 -1.639403817e-01 4.76 -1.578728461e-01 4.78 -1.519441635e-01 4.80 -1.461476261e-01 4.82 -1.404789156e-01 4.84 -1.349358895e-01 4.86 -1.295189194e-01 4.88 -1.242308040e-01 4.90 -1.190766111e-01 4.92 -1.140633558e-01 4.94 -1.091995121e-01 4.96 -1.044943762e-01 4.98 -9.995732686e-02 5.00 -9.559705223e-02 5.02 -9.142082069e-02 5.04 -8.743387237e-02 5.06 -8.363899133e-02 5.08 -8.003611246e-02 5.10 -7.662256439e-02 5.12 -7.339354486e-02 5.14 -7.034203457e-02 5.16 -6.745924728e-02 5.18 -6.473511675e-02 5.20 -6.215876749e-02 5.22 -5.971893449e-02 5.24 -5.740431239e-02 5.26 -5.520382622e-02 5.28 -5.310682620e-02 5.30 -5.110321469e-02 5.32 -4.918351724e-02 5.34 -4.733891022e-02 5.36 -4.556121754e-02 5.38 -4.384288730e-02 5.40 -4.217695775e-02 5.42 -4.055702016e-02 5.44 -3.897718437e-02 5.46 -3.743205191e-02 5.48 -3.591669976e-02 5.50 -3.442667726e-02 5.52 -3.295801751e-02 5.54 -3.150726378e-02 5.56 -3.007150966e-02 5.58 -2.864845199e-02 5.60 -2.723645262e-02 5.62 -2.583460445e-02 5.64 -2.444279495e-02 5.66 -2.306175954e-02 5.68 -2.169311553e-02 5.70 -2.033936726e-02 5.72 -1.900387363e-02 5.74 -1.769077125e-02 5.76 -1.640484697e-02 5.78 -1.515123095e-02 5.80 -1.393543516e-02 5.82 -1.276309515e-02 5.84 -1.163961325e-02 5.86 -1.056991074e-02 5.88 -9.558206614e-03 5.90 -8.607839914e-03 5.92 -7.721148072e-03 5.94 -6.899407532e-03 5.96 -6.142836385e-03 5.98 -5.450652778e-03 6.00 -4.821178439e-03