# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CoW2 # 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 2025-07-01 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 2.022979593e+03 0.92 1.856850843e+03 0.94 1.705925197e+03 0.96 1.568637964e+03 0.98 1.443605468e+03 1.00 1.329601629e+03 1.02 1.225467638e+03 1.04 1.127572040e+03 1.06 1.034760510e+03 1.08 9.475262385e+02 1.10 8.661001931e+02 1.12 7.902040983e+02 1.14 7.177745102e+02 1.16 6.492858275e+02 1.18 5.853758985e+02 1.20 5.263540833e+02 1.22 4.722952265e+02 1.24 4.231109262e+02 1.26 3.786031608e+02 1.28 3.385042598e+02 1.30 3.025063608e+02 1.32 2.702828020e+02 1.34 2.415033612e+02 1.36 2.158448362e+02 1.38 1.929981112e+02 1.40 1.726726066e+02 1.42 1.545988051e+02 1.44 1.385293793e+02 1.46 1.242393284e+02 1.48 1.115254260e+02 1.50 1.002052106e+02 1.52 9.011569464e+01 1.54 8.111191130e+01 1.56 7.306539384e+01 1.58 6.586265141e+01 1.60 5.940369295e+01 1.62 5.360062186e+01 1.64 4.837631951e+01 1.66 4.366322816e+01 1.68 3.940223982e+01 1.70 3.554168900e+01 1.72 3.203644672e+01 1.74 2.884710957e+01 1.76 2.593927866e+01 1.78 2.328292170e+01 1.80 2.085181211e+01 1.82 1.862303735e+01 1.84 1.657656206e+01 1.86 1.469484929e+01 1.88 1.296253146e+01 1.90 1.136612455e+01 1.92 9.893779910e+00 1.94 8.535069227e+00 1.96 7.280798013e+00 1.98 6.122822744e+00 2.00 5.053836274e+00 2.02 4.067237450e+00 2.04 3.157052913e+00 2.06 2.317868955e+00 2.08 1.544769557e+00 2.10 8.332782046e-01 2.12 1.792690674e-01 2.14 -4.211123580e-01 2.16 -9.714724886e-01 2.18 -1.475185918e+00 2.20 -1.935410574e+00 2.22 -2.355101829e+00 2.24 -2.737025650e+00 2.26 -3.083770861e+00 2.28 -3.397760573e+00 2.30 -3.681262841e+00 2.32 -3.936400613e+00 2.34 -4.165161014e+00 2.36 -4.369404002e+00 2.38 -4.550870417e+00 2.40 -4.711187632e+00 2.42 -4.851876269e+00 2.44 -4.974359807e+00 2.46 -5.079970836e+00 2.48 -5.169956673e+00 2.50 -5.245484605e+00 2.52 -5.307646787e+00 2.54 -5.357464821e+00 2.56 -5.395894024e+00 2.58 -5.423827417e+00 2.60 -5.442099439e+00 2.62 -5.451489568e+00 2.64 -5.452732237e+00 2.66 -5.446521138e+00 2.68 -5.433501825e+00 2.70 -5.414273842e+00 2.72 -5.389393470e+00 2.74 -5.359376278e+00 2.76 -5.324699518e+00 2.78 -5.285804370e+00 2.80 -5.243098067e+00 2.82 -5.196955910e+00 2.84 -5.147723200e+00 2.86 -5.095717098e+00 2.88 -5.041228439e+00 2.90 -4.984523502e+00 2.92 -4.925845756e+00 2.94 -4.865417585e+00 2.96 -4.803441987e+00 2.98 -4.740104256e+00 3.00 -4.675573635e+00 3.02 -4.610004920e+00 3.04 -4.543540013e+00 3.06 -4.476309400e+00 3.08 -4.408433534e+00 3.10 -4.340024113e+00 3.12 -4.271185226e+00 3.14 -4.202014378e+00 3.16 -4.132603350e+00 3.18 -4.063038933e+00 3.20 -3.993403513e+00 3.22 -3.923775511e+00 3.24 -3.854229719e+00 3.26 -3.784837511e+00 3.28 -3.715666977e+00 3.30 -3.646782979e+00 3.32 -3.578247156e+00 3.34 -3.510117898e+00 3.36 -3.442450296e+00 3.38 -3.375296098e+00 3.40 -3.308703655e+00 3.42 -3.242717902e+00 3.44 -3.177380345e+00 3.46 -3.112729080e+00 3.48 -3.048798836e+00 3.50 -2.985621041e+00 3.52 -2.923223916e+00 3.54 -2.861632586e+00 3.56 -2.800869207e+00 3.58 -2.740953112e+00 3.60 -2.681900957e+00 3.62 -2.623726882e+00 3.64 -2.566442670e+00 3.66 -2.510057902e+00 3.68 -2.454580120e+00 3.70 -2.400014973e+00 3.72 -2.346366366e+00 3.74 -2.293636592e+00 3.76 -2.241826473e+00 3.78 -2.190935471e+00 3.80 -2.140961809e+00 3.82 -2.091902576e+00 3.84 -2.043753824e+00 3.86 -1.996510664e+00 3.88 -1.950167343e+00 3.90 -1.904717331e+00 3.92 -1.860153387e+00 3.94 -1.816467633e+00 3.96 -1.773651609e+00 3.98 -1.731696338e+00 4.00 -1.690592373e+00 4.02 -1.650329854e+00 4.04 -1.610898549e+00 4.06 -1.572287899e+00 4.08 -1.534487061e+00 4.10 -1.497484939e+00 4.12 -1.461270223e+00 4.14 -1.425831420e+00 4.16 -1.391156886e+00 4.18 -1.357234847e+00 4.20 -1.324053432e+00 4.22 -1.291600694e+00 4.24 -1.259864630e+00 4.26 -1.228429040e+00 4.28 -1.189275575e+00 4.30 -1.121637871e+00 4.32 -1.022779518e+00 4.34 -9.782215102e-01 4.36 -9.553967030e-01 4.38 -9.330389867e-01 4.40 -9.111414886e-01 4.42 -8.896973086e-01 4.44 -8.686995282e-01 4.46 -8.481412184e-01 4.48 -8.280154474e-01 4.50 -8.083152882e-01 4.52 -7.890338247e-01 4.54 -7.701641581e-01 4.56 -7.516994129e-01 4.58 -7.336327421e-01 4.60 -7.159573322e-01 4.62 -6.986664079e-01 4.64 -6.817532363e-01 4.66 -6.652111312e-01 4.68 -6.490334564e-01 4.70 -6.332136291e-01 4.72 -6.177451236e-01 4.74 -6.026214732e-01 4.76 -5.878362737e-01 4.78 -5.733831852e-01 4.80 -5.592559346e-01 4.82 -5.454483176e-01 4.84 -5.319542002e-01 4.86 -5.187675205e-01 4.88 -5.058822900e-01 4.90 -4.932925950e-01 4.92 -4.795989859e-01 4.94 -4.474345030e-01 4.96 -3.553702227e-01 4.98 -1.705977721e-01 5.00 -9.889570835e-24 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00