# 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 = FeW2 # 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 4.577792444e+02 1.16 4.183183344e+02 1.18 3.823384356e+02 1.20 3.495200113e+02 1.22 3.195693967e+02 1.24 2.922179849e+02 1.26 2.672219185e+02 1.28 2.443616697e+02 1.30 2.234394434e+02 1.32 2.042746604e+02 1.34 1.867003042e+02 1.36 1.705623402e+02 1.38 1.557218332e+02 1.40 1.420574772e+02 1.42 1.294663254e+02 1.44 1.178620074e+02 1.46 1.071712230e+02 1.48 9.732986340e+01 1.50 8.827980877e+01 1.52 7.996683249e+01 1.54 7.233953059e+01 1.56 6.534892940e+01 1.58 5.894840318e+01 1.60 5.309365347e+01 1.62 4.774263755e+01 1.64 4.285541759e+01 1.66 3.839395101e+01 1.68 3.432188633e+01 1.70 3.060447576e+01 1.72 2.721021669e+01 1.74 2.410907332e+01 1.76 2.127229215e+01 1.78 1.867394402e+01 1.80 1.629119774e+01 1.82 1.410430623e+01 1.84 1.209678607e+01 1.86 1.025502846e+01 1.88 8.567798602e+00 1.90 7.025637178e+00 1.92 5.620212545e+00 1.94 4.343736274e+00 1.96 3.188530716e+00 1.98 2.146781199e+00 2.00 1.210450331e+00 2.02 3.713015563e-01 2.04 -3.790223292e-01 2.06 -1.048901493e+00 2.08 -1.646632516e+00 2.10 -2.180303926e+00 2.12 -2.657641216e+00 2.14 -3.085823137e+00 2.16 -3.471294291e+00 2.18 -3.819615516e+00 2.20 -4.135391220e+00 2.22 -4.422291756e+00 2.24 -4.683116358e+00 2.26 -4.919744258e+00 2.28 -5.134224672e+00 2.30 -5.328302887e+00 2.32 -5.503410190e+00 2.34 -5.660791863e+00 2.36 -5.801589543e+00 2.38 -5.926684253e+00 2.40 -6.036078873e+00 2.42 -6.129803848e+00 2.44 -6.208149105e+00 2.46 -6.271570719e+00 2.48 -6.320620050e+00 2.50 -6.355889811e+00 2.52 -6.377973433e+00 2.54 -6.387435339e+00 2.56 -6.384790600e+00 2.58 -6.370492958e+00 2.60 -6.344930283e+00 2.62 -6.308426472e+00 2.64 -6.261248427e+00 2.66 -6.203616506e+00 2.68 -6.135716669e+00 2.70 -6.057712761e+00 2.72 -5.969757944e+00 2.74 -5.872005136e+00 2.76 -5.764617290e+00 2.78 -5.647779047e+00 2.80 -5.521711605e+00 2.82 -5.386692235e+00 2.84 -5.243078916e+00 2.86 -5.091340346e+00 2.88 -4.932086738e+00 2.90 -4.766086168e+00 2.92 -4.594292026e+00 2.94 -4.417847634e+00 2.96 -4.238071070e+00 2.98 -4.056419013e+00 3.00 -3.874430763e+00 3.02 -3.693656526e+00 3.04 -3.515503758e+00 3.06 -3.341114726e+00 3.08 -3.171439766e+00 3.10 -3.007206820e+00 3.12 -2.848900473e+00 3.14 -2.696765900e+00 3.16 -2.550833644e+00 3.18 -2.410958799e+00 3.20 -2.276867320e+00 3.22 -2.148202785e+00 3.24 -2.024568551e+00 3.26 -1.905562289e+00 3.28 -1.790801912e+00 3.30 -1.679943588e+00 3.32 -1.572693572e+00 3.34 -1.468815926e+00 3.36 -1.368137916e+00 3.38 -1.270554083e+00 3.40 -1.176029023e+00 3.42 -1.084598018e+00 3.44 -9.963642288e-01 3.46 -9.114911891e-01 3.48 -8.301899557e-01 3.50 -7.527012474e-01 3.52 -6.792739388e-01 3.54 -6.101421195e-01 3.56 -5.455033136e-01 3.58 -4.855003083e-01 3.60 -4.302084260e-01 3.62 -3.796291683e-01 3.64 -3.336901994e-01 3.66 -2.922508397e-01 3.68 -2.551115173e-01 3.70 -2.220256185e-01 3.72 -1.927143866e-01 3.74 -1.668782954e-01 3.76 -1.442087149e-01 3.78 -1.243979622e-01 3.80 -1.071472562e-01 3.82 -9.217260416e-02 3.84 -7.920880126e-02 3.86 -6.801181641e-02 3.88 -5.835986744e-02 3.90 -5.005348823e-02 3.92 -4.291486074e-02 3.94 -3.678664575e-02 3.96 -3.153050178e-02 3.98 -2.702543966e-02 4.00 -2.316612217e-02 4.02 -1.986118825e-02 4.04 -1.703164539e-02 4.06 -1.460937947e-02 4.08 -1.253578713e-02 4.10 -1.076031384e-02 4.12 -9.239466039e-03 4.14 -7.936724490e-03 4.16 -6.820687577e-03 4.18 -5.864386792e-03 4.20 -5.044709902e-03 4.22 -4.341878550e-03 4.24 -3.738983978e-03 4.26 -3.221579674e-03 4.28 -2.777327136e-03 4.30 -2.395689784e-03 4.32 -2.067669680e-03 4.34 -1.785581795e-03 4.36 -1.542860929e-03 4.38 -1.333896830e-03 4.40 -1.153893560e-03 4.42 -9.987496326e-04 4.44 -8.649559059e-04 4.46 -7.495086212e-04 4.48 -6.498353510e-04 4.50 -5.637319363e-04 4.52 -4.893087748e-04 4.54 -4.249450628e-04 4.56 -3.692498028e-04 4.58 -3.210285635e-04 4.60 -2.792551335e-04 4.62 -2.430473382e-04 4.64 -2.116463983e-04 4.66 -1.843993033e-04 4.68 -1.607437531e-04 4.70 -1.401952856e-04 4.72 -1.223362677e-04 4.74 -1.068064765e-04 4.76 -9.329503390e-05 4.78 -8.153349888e-05 4.80 -7.128993140e-05 4.82 -6.236387886e-05 4.84 -5.458192089e-05 4.86 -4.779399809e-05 4.88 -4.187018191e-05 4.90 -3.669791397e-05 4.92 -3.217963209e-05 4.94 -2.823072781e-05 4.96 -2.477778811e-05 4.98 -2.175708101e-05 5.00 -1.911325042e-05 5.02 -1.679819082e-05 5.04 -1.477007641e-05 5.06 -1.299252306e-05 5.08 -1.143386458e-05 5.10 -1.006652733e-05 5.12 -8.866489522e-06 5.14 -7.812813547e-06 5.16 -6.887241190e-06 5.18 -6.073843146e-06 5.20 -5.358715383e-06 5.22 -4.729715939e-06 5.24 -4.176236683e-06 5.26 -3.689005274e-06 5.28 -3.259913252e-06 5.30 -2.881866724e-06 5.32 -2.548656629e-06 5.34 -2.254845948e-06 5.36 -1.995671601e-06 5.38 -1.766959083e-06 5.40 -1.565048142e-06 5.42 -1.386728045e-06 5.44 -1.229181169e-06 5.46 -1.089933826e-06 5.48 -9.668133625e-07 5.50 -8.579107348e-07 5.52 -7.615478304e-07 5.54 -6.762489293e-07 5.56 -6.007157669e-07 5.58 -5.338057349e-07 5.60 -4.745128171e-07 5.62 -4.219509098e-07 5.64 -3.753392222e-07 5.66 -3.339894920e-07 5.68 -2.972947857e-07 5.70 -2.647196833e-07 5.72 -2.357916728e-07 5.74 -2.100936012e-07 5.76 -1.872570513e-07 5.78 -1.669565271e-07 5.80 -1.489043478e-07 5.82 -1.328461613e-07 5.84 -1.185570019e-07 5.86 -1.058378237e-07 5.88 -9.451245102e-08 5.90 -8.442489598e-08 5.92 -7.543699650e-08 5.94 -6.742633669e-08 5.96 -6.028441479e-08 5.98 -5.391502872e-08 6.00 -4.823285278e-08