# 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 = Ag2Co # 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 2.614348578e+02 1.16 2.404623408e+02 1.18 2.212207102e+02 1.20 2.035516546e+02 1.22 1.873139970e+02 1.24 1.723816135e+02 1.26 1.586419785e+02 1.28 1.459943587e+02 1.30 1.343475645e+02 1.32 1.236181525e+02 1.34 1.137295597e+02 1.36 1.046118277e+02 1.38 9.620130354e+01 1.40 8.844015920e+01 1.42 8.127578620e+01 1.44 7.466006049e+01 1.46 6.854870890e+01 1.48 6.290125859e+01 1.50 5.768562619e+01 1.52 5.287013167e+01 1.54 4.842376866e+01 1.56 4.431814792e+01 1.58 4.052718864e+01 1.60 3.702691521e+01 1.62 3.379523270e+01 1.64 3.081167149e+01 1.66 2.805718023e+01 1.68 2.551404314e+01 1.70 2.316589787e+01 1.72 2.099772828e+01 1.74 1.899574540e+01 1.76 1.714721486e+01 1.78 1.544035740e+01 1.80 1.386436427e+01 1.82 1.240944572e+01 1.84 1.106680772e+01 1.86 9.828529708e+00 1.88 8.687386260e+00 1.90 7.636665603e+00 1.92 6.670017686e+00 1.94 5.781351579e+00 1.96 4.964798367e+00 1.98 4.214744490e+00 2.00 3.525914926e+00 2.02 2.893460432e+00 2.04 2.313001327e+00 2.06 1.780608153e+00 2.08 1.292735097e+00 2.10 8.461387653e-01 2.12 4.378090272e-01 2.14 6.492446653e-02 2.16 -2.751659246e-01 2.18 -5.849400676e-01 2.20 -8.666894047e-01 2.22 -1.122507280e+00 2.24 -1.354288457e+00 2.26 -1.563756435e+00 2.28 -1.752509081e+00 2.30 -1.921901624e+00 2.32 -2.073180561e+00 2.34 -2.207518997e+00 2.36 -2.326030181e+00 2.38 -2.429777048e+00 2.40 -2.519778536e+00 2.42 -2.597008773e+00 2.44 -2.662341647e+00 2.46 -2.716585959e+00 2.48 -2.760540699e+00 2.50 -2.794996366e+00 2.52 -2.820913290e+00 2.54 -2.839171695e+00 2.56 -2.850175229e+00 2.58 -2.854404736e+00 2.60 -2.852408547e+00 2.62 -2.844771323e+00 2.64 -2.832076398e+00 2.66 -2.814870923e+00 2.68 -2.793657446e+00 2.70 -2.768869685e+00 2.72 -2.740860226e+00 2.74 -2.709914914e+00 2.76 -2.676270574e+00 2.78 -2.640131063e+00 2.80 -2.601679328e+00 2.82 -2.561085168e+00 2.84 -2.518509677e+00 2.86 -2.474107740e+00 2.88 -2.428029977e+00 2.90 -2.380425260e+00 2.92 -2.331444580e+00 2.94 -2.281246521e+00 2.96 -2.230004025e+00 2.98 -2.177911316e+00 3.00 -2.125189148e+00 3.02 -2.072086044e+00 3.04 -2.018873554e+00 3.06 -1.965834799e+00 3.08 -1.913247615e+00 3.10 -1.861365610e+00 3.12 -1.810401336e+00 3.14 -1.760515186e+00 3.16 -1.711811775e+00 3.18 -1.664343440e+00 3.20 -1.618118863e+00 3.22 -1.573114249e+00 3.24 -1.529284727e+00 3.26 -1.486574371e+00 3.28 -1.444924059e+00 3.30 -1.404277026e+00 3.32 -1.364582351e+00 3.34 -1.325796793e+00 3.36 -1.287885394e+00 3.38 -1.250821222e+00 3.40 -1.214584545e+00 3.42 -1.179161667e+00 3.44 -1.144543593e+00 3.46 -1.110724658e+00 3.48 -1.077701217e+00 3.50 -1.045470461e+00 3.52 -1.014029409e+00 3.54 -9.833740944e-01 3.56 -9.534989531e-01 3.58 -9.243964102e-01 3.60 -8.960566504e-01 3.62 -8.684675588e-01 3.64 -8.416148126e-01 3.66 -8.154821028e-01 3.68 -7.900514601e-01 3.70 -7.653036569e-01 3.72 -7.412186497e-01 3.74 -7.177760258e-01 3.76 -6.949554189e-01 3.78 -6.727368610e-01 3.80 -6.511010483e-01 3.82 -6.300295090e-01 3.84 -6.095046719e-01 3.86 -5.895098436e-01 3.88 -5.700291126e-01 3.90 -5.510471992e-01 3.92 -5.325492740e-01 3.94 -5.145207737e-01 3.96 -4.969472200e-01 3.98 -4.798140838e-01 4.00 -4.631066946e-01 4.02 -4.468102178e-01 4.04 -4.309097122e-01 4.06 -4.153902765e-01 4.08 -4.002372914e-01 4.10 -3.854367571e-01 4.12 -3.709757294e-01 4.14 -3.568428191e-01 4.16 -3.430287577e-01 4.18 -3.295269686e-01 4.20 -3.163340988e-01 4.22 -3.034504433e-01 4.24 -2.908801850e-01 4.26 -2.786313780e-01 4.28 -2.667156105e-01 4.30 -2.551473191e-01 4.32 -2.439427628e-01 4.34 -2.331187235e-01 4.36 -2.226910422e-01 4.38 -2.126731420e-01 4.40 -2.030746973e-01 4.42 -1.939005922e-01 4.44 -1.851502719e-01 4.46 -1.768175269e-01 4.48 -1.688906938e-01 4.50 -1.613532025e-01 4.52 -1.541843684e-01 4.54 -1.473603201e-01 4.56 -1.408549588e-01 4.58 -1.346408715e-01 4.60 -1.286901444e-01 4.62 -1.229750518e-01 4.64 -1.174686198e-01 4.66 -1.121450775e-01 4.68 -1.069802227e-01 4.70 -1.019517280e-01 4.72 -9.703941792e-02 4.74 -9.222553740e-02 4.76 -8.749502864e-02 4.78 -8.283582019e-02 4.80 -7.823911979e-02 4.82 -7.369970013e-02 4.84 -6.921612346e-02 4.86 -6.479089401e-02 4.88 -6.043046541e-02 4.90 -5.614506810e-02 4.92 -5.194831997e-02 4.94 -4.785660589e-02 4.96 -4.388805340e-02 4.98 -4.006162385e-02 5.00 -3.639658252e-02 5.02 -3.291087076e-02 5.04 -2.962007901e-02 5.06 -2.653662823e-02 5.08 -2.366920649e-02 5.10 -2.102249047e-02 5.12 -1.859714626e-02 5.14 -1.639007597e-02 5.16 -1.439485327e-02 5.18 -1.260228378e-02 5.20 -1.100095160e-02 5.22 -9.577880545e-03 5.24 -8.319404972e-03 5.26 -7.211407949e-03 5.28 -6.239761940e-03 5.30 -5.390690420e-03 5.32 -4.651038388e-03 5.34 -4.008460252e-03 5.36 -3.451536729e-03 5.38 -2.969833629e-03 5.40 -2.553915174e-03 5.42 -2.195323426e-03 5.44 -1.886533836e-03 5.46 -1.620895161e-03 5.48 -1.392560336e-03 5.50 -1.196413302e-03 5.52 -1.027995471e-03 5.54 -8.834344160e-04 5.56 -7.593764647e-04 5.58 -6.529242424e-04 5.60 -5.615796661e-04 5.62 -4.831925509e-04 5.64 -4.159147315e-04 5.66 -3.581594340e-04 5.68 -3.085655373e-04 5.70 -2.659663070e-04 5.72 -2.293621684e-04 5.74 -1.978970851e-04 5.76 -1.708381325e-04 5.78 -1.475578790e-04 5.80 -1.275192231e-04 5.82 -1.102623670e-04 5.84 -9.539364257e-05 5.86 -8.257593700e-05 5.88 -7.152049780e-05 5.90 -6.197992273e-05 5.92 -5.374216741e-05 5.94 -4.662542456e-05 5.96 -4.047374946e-05 5.98 -3.515332348e-05 6.00 -3.054926281e-05