# 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 = MoNi2 # 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 1.942479725e+02 1.16 1.780644491e+02 1.18 1.632501932e+02 1.20 1.496713849e+02 1.22 1.372099229e+02 1.24 1.257638826e+02 1.26 1.152454456e+02 1.28 1.055777014e+02 1.30 9.669098337e+01 1.32 8.852027803e+01 1.34 8.100482579e+01 1.36 7.408854505e+01 1.38 6.771981658e+01 1.40 6.185111809e+01 1.42 5.643922123e+01 1.44 5.144549639e+01 1.46 4.683569058e+01 1.48 4.257924865e+01 1.50 3.864863934e+01 1.52 3.501898488e+01 1.54 3.166973512e+01 1.56 2.858334357e+01 1.58 2.574080242e+01 1.60 2.312448176e+01 1.62 2.071811602e+01 1.64 1.850688234e+01 1.66 1.647728940e+01 1.68 1.461678597e+01 1.70 1.291327667e+01 1.72 1.135475108e+01 1.74 9.929148295e+00 1.76 8.624502495e+00 1.78 7.429309049e+00 1.80 6.332950260e+00 1.82 5.326023656e+00 1.84 4.400498883e+00 1.86 3.549696172e+00 1.88 2.768114652e+00 1.90 2.051165468e+00 1.92 1.394879544e+00 1.94 7.956546224e-01 1.96 2.500814922e-01 1.98 -2.451485014e-01 2.00 -6.932853386e-01 2.02 -1.097548486e+00 2.04 -1.461157323e+00 2.06 -1.787354509e+00 2.08 -2.079403094e+00 2.10 -2.340545033e+00 2.12 -2.573923802e+00 2.14 -2.782488786e+00 2.16 -2.968907834e+00 2.18 -3.135480231e+00 2.20 -3.283917971e+00 2.22 -3.416241476e+00 2.24 -3.534240489e+00 2.26 -3.639375895e+00 2.28 -3.732877887e+00 2.30 -3.815814619e+00 2.32 -3.888856696e+00 2.34 -3.952388184e+00 2.36 -4.006917980e+00 2.38 -4.053028918e+00 2.40 -4.091314000e+00 2.42 -4.122321684e+00 2.44 -4.146528712e+00 2.46 -4.164340392e+00 2.48 -4.176107813e+00 2.50 -4.182144872e+00 2.52 -4.182574340e+00 2.54 -4.177334216e+00 2.56 -4.166424732e+00 2.58 -4.149913453e+00 2.60 -4.127924341e+00 2.62 -4.100630045e+00 2.64 -4.068248501e+00 2.66 -4.031043901e+00 2.68 -3.989330695e+00 2.70 -3.943477676e+00 2.72 -3.893907849e+00 2.74 -3.841089761e+00 2.76 -3.785517923e+00 2.78 -3.727683964e+00 2.80 -3.668044350e+00 2.82 -3.606992573e+00 2.84 -3.544842256e+00 2.86 -3.481823399e+00 2.88 -3.418089652e+00 2.90 -3.353731936e+00 2.92 -3.288793716e+00 2.94 -3.223284650e+00 2.96 -3.157191234e+00 2.98 -3.090484424e+00 3.00 -3.023124951e+00 3.02 -2.955067196e+00 3.04 -2.886262328e+00 3.06 -2.816661141e+00 3.08 -2.746216745e+00 3.10 -2.674887107e+00 3.12 -2.602637377e+00 3.14 -2.529441944e+00 3.16 -2.455286319e+00 3.18 -2.380169007e+00 3.20 -2.304103642e+00 3.22 -2.227121651e+00 3.24 -2.149275638e+00 3.26 -2.070643502e+00 3.28 -1.991333102e+00 3.30 -1.911487018e+00 3.32 -1.831286763e+00 3.34 -1.750955649e+00 3.36 -1.670759431e+00 3.38 -1.591003998e+00 3.40 -1.512029587e+00 3.42 -1.434201413e+00 3.44 -1.357897058e+00 3.46 -1.283491499e+00 3.48 -1.211341015e+00 3.50 -1.141767491e+00 3.52 -1.075044610e+00 3.54 -1.011387193e+00 3.56 -9.509445531e-01 3.58 -8.937981970e-01 3.60 -8.399637078e-01 3.62 -7.893962525e-01 3.64 -7.419988788e-01 3.66 -6.976326715e-01 3.68 -6.561278642e-01 3.70 -6.172951161e-01 3.72 -5.809363200e-01 3.74 -5.468544510e-01 3.76 -5.148620774e-01 3.78 -4.847882195e-01 3.80 -4.564832830e-01 3.82 -4.298218267e-01 3.84 -4.047030118e-01 3.86 -3.810487322e-01 3.88 -3.587996645e-01 3.90 -3.379097560e-01 3.92 -3.183399208e-01 3.94 -3.000518481e-01 3.96 -2.830027805e-01 3.98 -2.671418970e-01 4.00 -2.524085822e-01 4.02 -2.387325005e-01 4.04 -2.260351019e-01 4.06 -2.142320262e-01 4.08 -2.032358835e-01 4.10 -1.929589493e-01 4.12 -1.833148365e-01 4.14 -1.742219103e-01 4.16 -1.656039482e-01 4.18 -1.573903469e-01 4.20 -1.495167828e-01 4.22 -1.419255721e-01 4.24 -1.345658765e-01 4.26 -1.273938675e-01 4.28 -1.203729236e-01 4.30 -1.134738949e-01 4.32 -1.066754306e-01 4.34 -9.996432567e-02 4.36 -9.333580651e-02 4.38 -8.679365104e-02 4.40 -8.035002106e-02 4.42 -7.402489352e-02 4.44 -6.784500776e-02 4.46 -6.184230267e-02 4.48 -5.605189512e-02 4.50 -5.050973382e-02 4.52 -4.525013402e-02 4.54 -4.030343847e-02 4.56 -3.569404673e-02 4.58 -3.143900413e-02 4.60 -2.754726992e-02 4.62 -2.401966561e-02 4.64 -2.084942505e-02 4.66 -1.802320586e-02 4.68 -1.552240726e-02 4.70 -1.332461177e-02 4.72 -1.140497120e-02 4.74 -9.737131973e-03 4.76 -8.295152849e-03 4.78 -7.053927942e-03 4.80 -5.989537832e-03 4.82 -5.079714848e-03 4.84 -4.304109540e-03 4.86 -3.644403406e-03 4.88 -3.084308351e-03 4.90 -2.609488162e-03 4.92 -2.207430291e-03 4.94 -1.867289704e-03 4.96 -1.579720763e-03 4.98 -1.336708283e-03 5.00 -1.131405147e-03 5.02 -9.579809630e-04 5.04 -8.114841661e-04 5.06 -6.877185082e-04 5.08 -5.831338975e-04 5.10 -4.947309208e-04 5.12 -4.199780324e-04 5.14 -3.567402080e-04 5.16 -3.032178088e-04 5.18 -2.578944254e-04 5.20 -2.194925383e-04 5.22 -1.869359319e-04 5.24 -1.593179076e-04 5.26 -1.358744484e-04 5.28 -1.159615979e-04 5.30 -9.903641163e-05 5.32 -8.464093066e-05 5.34 -7.238870524e-05 5.36 -6.195346790e-05 5.38 -5.305961485e-05 5.40 -4.547420777e-05 5.42 -3.900025305e-05 5.44 -3.347105355e-05 5.46 -2.874546058e-05 5.48 -2.470388158e-05 5.50 -2.124492182e-05 5.52 -1.828255840e-05 5.54 -1.574376089e-05 5.56 -1.356648727e-05 5.58 -1.169799474e-05 5.60 -1.009341545e-05 5.62 -8.714554660e-06 5.64 -7.528876136e-06 5.66 -6.508644965e-06 5.68 -5.630202986e-06 5.70 -4.873355896e-06 5.72 -4.220854470e-06 5.74 -3.657955183e-06 5.76 -3.172047802e-06 5.78 -2.752339562e-06 5.80 -2.389587126e-06 5.82 -2.075868966e-06 5.84 -1.804391921e-06 5.86 -1.569326714e-06 5.88 -1.365667975e-06 5.90 -1.189115062e-06 5.92 -1.035970502e-06 5.94 -9.030534115e-07 5.96 -7.876256192e-07 5.98 -6.873285992e-07 6.00 -6.001295930e-07