# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-V--LAMMPS--ipr1 # composition = V2W # 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 2022-12-14 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 2.924485170e+03 0.86 2.665747273e+03 0.88 2.430541212e+03 0.90 2.218551809e+03 0.92 2.028535702e+03 0.94 1.857964668e+03 0.96 1.704548917e+03 0.98 1.566195886e+03 1.00 1.440923430e+03 1.02 1.312410159e+03 1.04 1.196905546e+03 1.06 1.093478047e+03 1.08 1.000392975e+03 1.10 9.164286931e+02 1.12 8.406438028e+02 1.14 7.722020459e+02 1.16 7.103418431e+02 1.18 6.543690937e+02 1.20 6.036508356e+02 1.22 5.576176785e+02 1.24 5.159859812e+02 1.26 4.780524800e+02 1.28 4.432936928e+02 1.30 4.112816553e+02 1.32 3.816443186e+02 1.34 3.541686682e+02 1.36 3.287200555e+02 1.38 3.051427196e+02 1.40 2.832322270e+02 1.42 2.627964259e+02 1.44 2.436855972e+02 1.46 2.257828497e+02 1.48 2.089850570e+02 1.50 1.932200139e+02 1.52 1.784358954e+02 1.54 1.645853631e+02 1.56 1.516201439e+02 1.58 1.394909568e+02 1.60 1.281558923e+02 1.62 1.175714042e+02 1.64 1.076882011e+02 1.66 9.845929496e+01 1.68 8.984259877e+01 1.70 8.179663124e+01 1.72 7.427883217e+01 1.74 6.726551726e+01 1.76 6.072777220e+01 1.78 5.463099631e+01 1.80 4.895204091e+01 1.82 4.366802856e+01 1.84 3.875713178e+01 1.86 3.419833332e+01 1.88 2.997333635e+01 1.90 2.608584053e+01 1.92 2.252351937e+01 1.94 1.926777614e+01 1.96 1.630107776e+01 1.98 1.360650963e+01 2.00 1.116709053e+01 2.02 9.049718430e+00 2.04 7.134975301e+00 2.06 5.410917767e+00 2.08 3.866170720e+00 2.10 2.490076479e+00 2.12 1.274307043e+00 2.14 2.110041243e-01 2.16 -7.080454416e-01 2.18 -1.491655758e+00 2.20 -2.150754661e+00 2.22 -2.697967721e+00 2.24 -3.146266230e+00 2.26 -3.508693288e+00 2.28 -3.797625020e+00 2.30 -4.024176606e+00 2.32 -4.199131994e+00 2.34 -4.332842831e+00 2.36 -4.435029031e+00 2.38 -4.515344005e+00 2.40 -4.583352133e+00 2.42 -4.646863911e+00 2.44 -4.711298740e+00 2.46 -4.779481809e+00 2.48 -4.851501404e+00 2.50 -4.924979471e+00 2.52 -4.995845699e+00 2.54 -5.060178644e+00 2.56 -5.114471511e+00 2.58 -5.155521725e+00 2.60 -5.180523132e+00 2.62 -5.188695435e+00 2.64 -5.182359161e+00 2.66 -5.164100372e+00 2.68 -5.136276365e+00 2.70 -5.101145127e+00 2.72 -5.060391106e+00 2.74 -5.014709346e+00 2.76 -4.964698399e+00 2.78 -4.910973522e+00 2.80 -4.854176384e+00 2.82 -4.794754749e+00 2.84 -4.732875481e+00 2.86 -4.668755006e+00 2.88 -4.602672406e+00 2.90 -4.534887084e+00 2.92 -4.465582656e+00 2.94 -4.394923503e+00 2.96 -4.323091787e+00 2.98 -4.250251280e+00 3.00 -4.176537729e+00 3.02 -4.102016826e+00 3.04 -4.026664351e+00 3.06 -3.950426195e+00 3.08 -3.873223680e+00 3.10 -3.794958079e+00 3.12 -3.715524292e+00 3.14 -3.634838424e+00 3.16 -3.552820136e+00 3.18 -3.469395798e+00 3.20 -3.384493023e+00 3.22 -3.298193001e+00 3.24 -3.210767653e+00 3.26 -3.122486582e+00 3.28 -3.033624858e+00 3.30 -2.944461262e+00 3.32 -2.855290099e+00 3.34 -2.766422786e+00 3.36 -2.678169485e+00 3.38 -2.590838488e+00 3.40 -2.504735539e+00 3.42 -2.420086480e+00 3.44 -2.337000540e+00 3.46 -2.255575605e+00 3.48 -2.175905874e+00 3.50 -2.098071620e+00 3.52 -2.022145328e+00 3.54 -1.948196666e+00 3.56 -1.876292273e+00 3.58 -1.806495531e+00 3.60 -1.738865757e+00 3.62 -1.673425139e+00 3.64 -1.610147254e+00 3.66 -1.548998434e+00 3.68 -1.489940489e+00 3.70 -1.432928942e+00 3.72 -1.377890911e+00 3.74 -1.324727352e+00 3.76 -1.273384716e+00 3.78 -1.223832098e+00 3.80 -1.176035209e+00 3.82 -1.129941696e+00 3.84 -1.085482774e+00 3.86 -1.042587479e+00 3.88 -1.001185966e+00 3.90 -9.612099759e-01 3.92 -9.225932437e-01 3.94 -8.852716628e-01 3.96 -8.491837110e-01 3.98 -8.142735196e-01 4.00 -7.804869028e-01 4.02 -7.477828407e-01 4.04 -7.161351694e-01 4.06 -6.855376683e-01 4.08 -6.559967168e-01 4.10 -6.275011308e-01 4.12 -5.999639345e-01 4.14 -5.733881596e-01 4.16 -5.473728531e-01 4.18 -5.220443867e-01 4.20 -4.979847641e-01 4.22 -4.755452057e-01 4.24 -4.549882370e-01 4.26 -4.348590912e-01 4.28 -4.139591110e-01 4.30 -3.924071123e-01 4.32 -3.705811265e-01 4.34 -3.489822561e-01 4.36 -3.279038404e-01 4.38 -3.066751340e-01 4.40 -2.847725874e-01 4.42 -2.618745989e-01 4.44 -2.378905221e-01 4.46 -2.129666505e-01 4.48 -1.876147003e-01 4.50 -1.628572334e-01 4.52 -1.394166582e-01 4.54 -1.177453857e-01 4.56 -9.809388314e-02 4.58 -8.056605210e-02 4.60 -6.516141788e-02 4.62 -5.180690996e-02 4.64 -4.038273603e-02 4.66 -3.074306249e-02 4.68 -2.272941068e-02 4.70 -1.617966162e-02 4.72 -1.093372118e-02 4.74 -6.836680710e-03 4.76 -3.740170035e-03 4.78 -1.502473642e-03 4.80 1.217479436e-05 4.82 9.353223962e-04 4.84 1.394581329e-03 4.86 1.514071949e-03 4.88 1.416398355e-03 4.90 1.223427351e-03 4.92 1.035561909e-03 4.94 8.708195026e-04 4.96 7.267747240e-04 4.98 6.010021841e-04 5.00 4.911273752e-04 5.02 3.955449114e-04 5.04 3.132454865e-04 5.06 2.432353606e-04 5.08 1.845207943e-04 5.10 1.361080477e-04 5.12 9.700338119e-05 5.14 6.621305505e-05 5.16 4.274332958e-05 5.18 2.560046509e-05 5.20 1.379072190e-05 5.22 6.320360292e-06 5.24 2.195640585e-06 5.26 4.228230802e-07 5.28 8.168082956e-09 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