# 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 = Co2W # 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 2.790450478e+02 1.16 2.557196763e+02 1.18 2.343959565e+02 1.20 2.148789034e+02 1.22 1.969936518e+02 1.24 1.805853578e+02 1.26 1.655189458e+02 1.28 1.516773432e+02 1.30 1.389581586e+02 1.32 1.272699209e+02 1.34 1.165290163e+02 1.36 1.066576231e+02 1.38 9.758264813e+01 1.40 8.923577111e+01 1.42 8.155397712e+01 1.44 7.447971687e+01 1.46 6.796072096e+01 1.48 6.194988645e+01 1.50 5.640514269e+01 1.52 5.128901271e+01 1.54 4.656801677e+01 1.56 4.221219667e+01 1.58 3.819478135e+01 1.60 3.449243298e+01 1.62 3.108307684e+01 1.64 2.794575841e+01 1.66 2.506064919e+01 1.68 2.241073387e+01 1.70 1.997905531e+01 1.72 1.774883935e+01 1.74 1.570428152e+01 1.76 1.383037999e+01 1.78 1.211290543e+01 1.80 1.053854216e+01 1.82 9.095094401e+00 1.84 7.771635284e+00 1.86 6.558541165e+00 1.88 5.447399013e+00 1.90 4.430801827e+00 1.92 3.502089047e+00 1.94 2.655118247e+00 1.96 1.884127011e+00 1.98 1.183677336e+00 2.00 5.486323865e-01 2.02 -2.587860982e-02 2.04 -5.445238513e-01 2.06 -1.011849353e+00 2.08 -1.432344620e+00 2.10 -1.810460637e+00 2.12 -2.150531686e+00 2.14 -2.456557019e+00 2.16 -2.732712733e+00 2.18 -2.982737512e+00 2.20 -3.209730497e+00 2.22 -3.416146910e+00 2.24 -3.603529716e+00 2.26 -3.772388882e+00 2.28 -3.923263131e+00 2.30 -4.056814807e+00 2.32 -4.173784693e+00 2.34 -4.274962965e+00 2.36 -4.361169244e+00 2.38 -4.433237840e+00 2.40 -4.492006910e+00 2.42 -4.538311317e+00 2.44 -4.572978743e+00 2.46 -4.596858956e+00 2.48 -4.610856619e+00 2.50 -4.615656414e+00 2.52 -4.611935321e+00 2.54 -4.600389234e+00 2.56 -4.581733353e+00 2.58 -4.556700441e+00 2.60 -4.526029208e+00 2.62 -4.490431910e+00 2.64 -4.450454113e+00 2.66 -4.406493281e+00 2.68 -4.358892561e+00 2.70 -4.307940389e+00 2.72 -4.253880772e+00 2.74 -4.196928752e+00 2.76 -4.137284016e+00 2.78 -4.075139364e+00 2.80 -4.010683908e+00 2.82 -3.944102456e+00 2.84 -3.875572884e+00 2.86 -3.805263050e+00 2.88 -3.733328355e+00 2.90 -3.659910736e+00 2.92 -3.585139534e+00 2.94 -3.509134327e+00 2.96 -3.432009373e+00 2.98 -3.353878655e+00 3.00 -3.274859929e+00 3.02 -3.195075812e+00 3.04 -3.114650445e+00 3.06 -3.033701609e+00 3.08 -2.952330073e+00 3.10 -2.870609467e+00 3.12 -2.788580049e+00 3.14 -2.706248385e+00 3.16 -2.623592877e+00 3.18 -2.540573478e+00 3.20 -2.457143324e+00 3.22 -2.373260445e+00 3.24 -2.288898495e+00 3.26 -2.204056124e+00 3.28 -2.118765053e+00 3.30 -2.033096943e+00 3.32 -1.947169020e+00 3.34 -1.861148172e+00 3.36 -1.775253048e+00 3.38 -1.689753527e+00 3.40 -1.604966972e+00 3.42 -1.521250867e+00 3.44 -1.438991783e+00 3.46 -1.358591088e+00 3.48 -1.280448322e+00 3.50 -1.204943575e+00 3.52 -1.132420460e+00 3.54 -1.063171270e+00 3.56 -9.974256655e-01 3.58 -9.353437607e-01 3.60 -8.770139236e-01 3.62 -8.224550233e-01 3.64 -7.716224032e-01 3.66 -7.244165662e-01 3.68 -6.806934543e-01 3.70 -6.402752679e-01 3.72 -6.029609470e-01 3.74 -5.685356785e-01 3.76 -5.367790374e-01 3.78 -5.074715920e-01 3.80 -4.803999732e-01 3.82 -4.553605271e-01 3.84 -4.321617357e-01 3.86 -4.106256204e-01 3.88 -3.905883426e-01 3.90 -3.719001983e-01 3.92 -3.544251798e-01 3.94 -3.380402474e-01 3.96 -3.226344292e-01 3.98 -3.081078444e-01 4.00 -2.943707229e-01 4.02 -2.813424817e-01 4.04 -2.689509040e-01 4.06 -2.571314573e-01 4.08 -2.458267751e-01 4.10 -2.349863181e-01 4.12 -2.245662144e-01 4.14 -2.145292576e-01 4.16 -2.048450217e-01 4.18 -1.954900168e-01 4.20 -1.864477846e-01 4.22 -1.777088090e-01 4.24 -1.692701158e-01 4.26 -1.611344573e-01 4.28 -1.533090368e-01 4.30 -1.458038175e-01 4.32 -1.386295554e-01 4.34 -1.317957756e-01 4.36 -1.253089193e-01 4.38 -1.191705979e-01 4.40 -1.133777892e-01 4.42 -1.079221693e-01 4.44 -1.027902861e-01 4.46 -9.796441755e-02 4.48 -9.342365650e-02 4.50 -8.914504805e-02 4.52 -8.510463955e-02 4.54 -8.127835935e-02 4.56 -7.764268892e-02 4.58 -7.417513192e-02 4.60 -7.085450866e-02 4.62 -6.766111657e-02 4.64 -6.457680068e-02 4.66 -6.158497486e-02 4.68 -5.867062890e-02 4.70 -5.582034893e-02 4.72 -5.302237100e-02 4.74 -5.026667970e-02 4.76 -4.754515501e-02 4.78 -4.485176184e-02 4.80 -4.218276628e-02 4.82 -3.953695335e-02 4.84 -3.691580872e-02 4.86 -3.432362363e-02 4.88 -3.176747517e-02 4.90 -2.925704145e-02 4.92 -2.680422340e-02 4.94 -2.442256812e-02 4.96 -2.212651756e-02 4.98 -1.993053659e-02 5.00 -1.784820116e-02 5.02 -1.589134061e-02 5.04 -1.406932357e-02 5.06 -1.238855918e-02 5.08 -1.085210133e-02 5.10 -9.459863629e-03 5.12 -8.209095658e-03 5.14 -7.094435640e-03 5.16 -6.108445206e-03 5.18 -5.242186939e-03 5.20 -4.485783611e-03 5.22 -3.828918441e-03 5.24 -3.261252446e-03 5.26 -2.772749642e-03 5.28 -2.353912074e-03 5.30 -1.995933928e-03 5.32 -1.690787900e-03 5.34 -1.431258106e-03 5.36 -1.210933274e-03 5.38 -1.024172249e-03 5.40 -8.660517791e-04 5.42 -7.323043320e-04 5.44 -6.192517644e-04 5.46 -5.237389228e-04 5.48 -4.430699187e-04 5.50 -3.749487598e-04 5.52 -3.174252465e-04 5.54 -2.688464882e-04 5.56 -2.278140259e-04 5.58 -1.931463052e-04 5.60 -1.638461070e-04 5.62 -1.390724713e-04 5.64 -1.181166264e-04 5.66 -1.003814434e-04 5.68 -8.536396432e-05 5.70 -7.264058559e-05 5.72 -6.185452487e-05 5.74 -5.270523808e-05 5.76 -4.493949694e-05 5.78 -3.834387522e-05 5.80 -3.273842681e-05 5.82 -2.797136990e-05 5.84 -2.391461923e-05 5.86 -2.046003204e-05 5.88 -1.751625406e-05 5.90 -1.500606980e-05 5.92 -1.286417605e-05 5.94 -1.103531081e-05 5.96 -9.472680351e-06 5.98 -8.136636577e-06 6.00 -6.993564329e-06