# 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 = AlNi2 # 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 1.077104090e+02 1.16 9.877303192e+01 1.18 9.058005183e+01 1.20 8.306378202e+01 1.22 7.616311643e+01 1.24 6.982202835e+01 1.26 6.399046375e+01 1.28 5.862461902e+01 1.30 5.368495400e+01 1.32 4.913442109e+01 1.34 4.493901296e+01 1.36 4.106916238e+01 1.38 3.749983704e+01 1.40 3.420931243e+01 1.42 3.117765479e+01 1.44 2.838542345e+01 1.46 2.581294166e+01 1.48 2.344062858e+01 1.50 2.125087965e+01 1.52 1.923042426e+01 1.54 1.736604961e+01 1.56 1.564612827e+01 1.58 1.405998301e+01 1.60 1.259739313e+01 1.62 1.124861379e+01 1.64 1.000456889e+01 1.66 8.856882209e+00 1.68 7.797762975e+00 1.70 6.819936077e+00 1.72 5.916644906e+00 1.74 5.081647104e+00 1.76 4.309227482e+00 1.78 3.594297022e+00 1.80 2.932525233e+00 1.82 2.320376039e+00 1.84 1.754988152e+00 1.86 1.233944734e+00 1.88 7.550160386e-01 1.90 3.159428443e-01 1.92 -8.570411174e-02 1.94 -4.525768995e-01 1.96 -7.875144580e-01 1.98 -1.093425029e+00 2.00 -1.373112480e+00 2.02 -1.629097044e+00 2.04 -1.863492551e+00 2.06 -2.077980874e+00 2.08 -2.273877877e+00 2.10 -2.452247488e+00 2.12 -2.614015667e+00 2.14 -2.760056357e+00 2.16 -2.891243901e+00 2.18 -3.008478353e+00 2.20 -3.112693142e+00 2.22 -3.204843972e+00 2.24 -3.285893081e+00 2.26 -3.356787537e+00 2.28 -3.418428143e+00 2.30 -3.471644830e+00 2.32 -3.517184862e+00 2.34 -3.555711510e+00 2.36 -3.587736875e+00 2.38 -3.613423987e+00 2.40 -3.632849251e+00 2.42 -3.646369569e+00 2.44 -3.654876823e+00 2.46 -3.657986202e+00 2.48 -3.655328986e+00 2.50 -3.646673020e+00 2.52 -3.631922039e+00 2.54 -3.611120268e+00 2.56 -3.584459051e+00 2.58 -3.552281092e+00 2.60 -3.515082201e+00 2.62 -3.473468813e+00 2.64 -3.428103186e+00 2.66 -3.379652042e+00 2.68 -3.328743801e+00 2.70 -3.275944596e+00 2.72 -3.221753373e+00 2.74 -3.166607144e+00 2.76 -3.110884910e+00 2.78 -3.054903534e+00 2.80 -2.998906972e+00 2.82 -2.943055860e+00 2.84 -2.887425018e+00 2.86 -2.832012145e+00 2.88 -2.776756198e+00 2.90 -2.721561026e+00 2.92 -2.666319758e+00 2.94 -2.610936969e+00 2.96 -2.555347282e+00 2.98 -2.499529930e+00 3.00 -2.443518699e+00 3.02 -2.387406152e+00 3.04 -2.331340796e+00 3.06 -2.275516413e+00 3.08 -2.220154304e+00 3.10 -2.165481165e+00 3.12 -2.111706780e+00 3.14 -2.059005964e+00 3.16 -2.007507649e+00 3.18 -1.957292166e+00 3.20 -1.908395305e+00 3.22 -1.860816736e+00 3.24 -1.814530077e+00 3.26 -1.769492501e+00 3.28 -1.725652610e+00 3.30 -1.682956137e+00 3.32 -1.641349539e+00 3.34 -1.600781889e+00 3.36 -1.561205506e+00 3.38 -1.522575785e+00 3.40 -1.484850558e+00 3.42 -1.447989301e+00 3.44 -1.411952322e+00 3.46 -1.376700120e+00 3.48 -1.342192958e+00 3.50 -1.308390697e+00 3.52 -1.275252887e+00 3.54 -1.242739081e+00 3.56 -1.210809318e+00 3.58 -1.179424703e+00 3.60 -1.148548034e+00 3.62 -1.118144423e+00 3.64 -1.088181925e+00 3.66 -1.058632192e+00 3.68 -1.029471227e+00 3.70 -1.000680290e+00 3.72 -9.722470136e-01 3.74 -9.441667098e-01 3.76 -9.164437666e-01 3.78 -8.890929446e-01 3.80 -8.621402729e-01 3.82 -8.356232003e-01 3.84 -8.095896703e-01 3.86 -7.840959086e-01 3.88 -7.592029245e-01 3.90 -7.349720015e-01 3.92 -7.114597114e-01 3.94 -6.887131459e-01 3.96 -6.667660580e-01 3.98 -6.456364374e-01 4.00 -6.253257481e-01 4.02 -6.058197466e-01 4.04 -5.870905388e-01 4.06 -5.690994019e-01 4.08 -5.517998848e-01 4.10 -5.351407756e-01 4.12 -5.190687484e-01 4.14 -5.035303613e-01 4.16 -4.884736669e-01 4.18 -4.738492843e-01 4.20 -4.596111245e-01 4.22 -4.457168689e-01 4.24 -4.321283062e-01 4.26 -4.188116160e-01 4.28 -4.057376584e-01 4.30 -3.928822980e-01 4.32 -3.802267618e-01 4.34 -3.677579969e-01 4.36 -3.554689647e-01 4.38 -3.433587875e-01 4.40 -3.314326490e-01 4.42 -3.197013572e-01 4.44 -3.081805023e-01 4.46 -2.968891883e-01 4.48 -2.858483833e-01 4.50 -2.750789995e-01 4.52 -2.645998745e-01 4.54 -2.544258613e-01 4.56 -2.445662315e-01 4.58 -2.350235564e-01 4.60 -2.257931762e-01 4.62 -2.168632643e-01 4.64 -2.082154353e-01 4.66 -1.998257884e-01 4.68 -1.916662755e-01 4.70 -1.837062480e-01 4.72 -1.759140327e-01 4.74 -1.682581352e-01 4.76 -1.607096129e-01 4.78 -1.532429826e-01 4.80 -1.458371309e-01 4.82 -1.384764253e-01 4.84 -1.311515187e-01 4.86 -1.238599856e-01 4.88 -1.166066303e-01 4.90 -1.094034791e-01 4.92 -1.022694146e-01 4.94 -9.522943202e-02 4.96 -8.831352596e-02 4.98 -8.155525040e-02 5.00 -7.499003341e-02 5.02 -6.865336049e-02 5.04 -6.257896340e-02 5.06 -5.679715546e-02 5.08 -5.133344056e-02 5.10 -4.620749159e-02 5.12 -4.143255113e-02 5.14 -3.701526065e-02 5.16 -3.295588232e-02 5.18 -2.924884140e-02 5.20 -2.588350413e-02 5.22 -2.284509834e-02 5.24 -2.011568524e-02 5.26 -1.767507504e-02 5.28 -1.550131011e-02 5.30 -1.357252267e-02 5.32 -1.186699254e-02 5.34 -1.036343062e-02 5.36 -9.041406218e-03 5.38 -7.881644383e-03 5.40 -6.866213926e-03 5.42 -5.978627028e-03 5.44 -5.203870242e-03 5.46 -4.528384444e-03 5.48 -3.940008585e-03 5.50 -3.427899377e-03 5.52 -2.982436471e-03 5.54 -2.595120428e-03 5.56 -2.258468855e-03 5.58 -1.965914519e-03 5.60 -1.711708028e-03 5.62 -1.490826672e-03 5.64 -1.298890354e-03 5.66 -1.132084977e-03 5.68 -9.870932909e-04 5.70 -8.610329780e-04 5.72 -7.514015603e-04 5.74 -6.560276450e-04 5.76 -5.730279646e-04 5.78 -5.007696622e-04 5.80 -4.378372829e-04 5.82 -3.830039545e-04 5.84 -3.352062803e-04 5.86 -2.935225033e-04 5.88 -2.571535413e-04 5.90 -2.254065352e-04 5.92 -1.976805908e-04 5.94 -1.734544299e-04 5.96 -1.522757019e-04 5.98 -1.337517350e-04 6.00 -1.175415375e-04