# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Baskes-M-I-Laradji-M-Asadi-E--Pb-Sn # implementation = 2018--Etesami-S-A--Pb-Sn--LAMMPS--ipr1 # composition = PbSn2 # 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 2022-05-24 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 1.643561229e+03 0.98 1.521565656e+03 1.00 1.410056416e+03 1.02 1.307997714e+03 1.04 1.214468987e+03 1.06 1.128650665e+03 1.08 1.049811884e+03 1.10 9.772998353e+02 1.12 9.105305252e+02 1.14 8.489807461e+02 1.16 7.921810738e+02 1.18 7.397097435e+02 1.20 6.911872971e+02 1.22 6.462718912e+02 1.24 6.046551652e+02 1.26 5.660586116e+02 1.28 5.302303779e+02 1.30 4.969424375e+02 1.32 4.659880899e+02 1.34 4.371797495e+02 1.36 4.103469820e+02 1.38 3.853347603e+02 1.40 3.620019157e+02 1.42 3.402197588e+02 1.44 3.198708477e+02 1.46 3.008478917e+02 1.48 2.830527707e+02 1.50 2.663956579e+02 1.52 2.507942335e+02 1.54 2.361729825e+02 1.56 2.224625618e+02 1.58 2.095992327e+02 1.60 1.975243515e+02 1.62 1.861839104e+02 1.64 1.755281230e+02 1.66 1.655110523e+02 1.68 1.560902737e+02 1.70 1.472265712e+02 1.72 1.388839857e+02 1.74 1.308513585e+02 1.76 1.226644758e+02 1.78 1.144618238e+02 1.80 1.063814483e+02 1.82 9.852567013e+01 1.84 9.096810952e+01 1.86 8.375948296e+01 1.88 7.693235757e+01 1.90 7.050504180e+01 1.92 6.448475649e+01 1.94 5.887021382e+01 1.96 5.365370886e+01 1.98 4.882280607e+01 2.00 4.436169324e+01 2.02 4.025226298e+01 2.04 3.647496954e+01 2.06 3.300950179e+01 2.08 2.983530650e+01 2.10 2.693198936e+01 2.12 2.427961692e+01 2.14 2.185893853e+01 2.16 1.965154371e+01 2.18 1.763996822e+01 2.20 1.580775926e+01 2.22 1.413950841e+01 2.24 1.262085955e+01 2.26 1.123849783e+01 2.28 9.980123828e+00 2.30 8.834417218e+00 2.32 7.790992978e+00 2.34 6.840352432e+00 2.36 5.973831132e+00 2.38 5.183545344e+00 2.40 4.462338199e+00 2.42 3.803726353e+00 2.44 3.201848071e+00 2.46 2.651413230e+00 2.48 2.147655420e+00 2.50 1.686286612e+00 2.52 1.263454513e+00 2.54 8.757025785e-01 2.56 5.199327833e-01 2.58 1.933711496e-01 2.60 -1.064640953e-01 2.62 -3.817918314e-01 2.64 -6.345948724e-01 2.66 -8.666444758e-01 2.68 -1.079522702e+00 2.70 -1.274642707e+00 2.72 -1.453267126e+00 2.74 -1.616524724e+00 2.76 -1.765425401e+00 2.78 -1.900873739e+00 2.80 -2.023685016e+00 2.82 -2.134617091e+00 2.84 -2.234388047e+00 2.86 -2.323678720e+00 2.88 -2.403134485e+00 2.90 -2.473366969e+00 2.92 -2.534955669e+00 2.94 -2.588449511e+00 2.96 -2.634368331e+00 2.98 -2.673204286e+00 3.00 -2.705423201e+00 3.02 -2.731465858e+00 3.04 -2.751749220e+00 3.06 -2.766667600e+00 3.08 -2.776593774e+00 3.10 -2.781880048e+00 3.12 -2.782859267e+00 3.14 -2.779845783e+00 3.16 -2.773136378e+00 3.18 -2.763011135e+00 3.20 -2.749734282e+00 3.22 -2.733554982e+00 3.24 -2.714708100e+00 3.26 -2.693414920e+00 3.28 -2.669883836e+00 3.30 -2.644311011e+00 3.32 -2.616881000e+00 3.34 -2.587767348e+00 3.36 -2.557133152e+00 3.38 -2.525131609e+00 3.40 -2.491906523e+00 3.42 -2.457592799e+00 3.44 -2.422316907e+00 3.46 -2.386197325e+00 3.48 -2.349344963e+00 3.50 -2.311863562e+00 3.52 -2.273850079e+00 3.54 -2.235395046e+00 3.56 -2.196582922e+00 3.58 -2.157492414e+00 3.60 -2.118196798e+00 3.62 -2.078764206e+00 3.64 -2.039257920e+00 3.66 -1.999736630e+00 3.68 -1.960254697e+00 3.70 -1.920862389e+00 3.72 -1.881606117e+00 3.74 -1.842528651e+00 3.76 -1.803669325e+00 3.78 -1.765064241e+00 3.80 -1.726746450e+00 3.82 -1.688746133e+00 3.84 -1.651090768e+00 3.86 -1.613805293e+00 3.88 -1.576912252e+00 3.90 -1.540431947e+00 3.92 -1.504382567e+00 3.94 -1.468780324e+00 3.96 -1.433639570e+00 3.98 -1.398972917e+00 4.00 -1.364791346e+00 4.02 -1.331104313e+00 4.04 -1.297919844e+00 4.06 -1.265244635e+00 4.08 -1.233084133e+00 4.10 -1.201442626e+00 4.12 -1.170323321e+00 4.14 -1.139728417e+00 4.16 -1.109659181e+00 4.18 -1.080116008e+00 4.20 -1.051098492e+00 4.22 -1.022605483e+00 4.24 -9.946351428e-01 4.26 -9.671850014e-01 4.28 -9.402520068e-01 4.30 -9.138325735e-01 4.32 -8.879226285e-01 4.34 -8.625176537e-01 4.36 -8.376127279e-01 4.38 -8.132025651e-01 4.40 -7.892815512e-01 4.42 -7.658437794e-01 4.44 -7.428830831e-01 4.46 -7.203930675e-01 4.48 -6.983671397e-01 4.50 -6.767985376e-01 4.52 -6.556803572e-01 4.54 -6.350055789e-01 4.56 -6.147670926e-01 4.58 -5.949577227e-01 4.60 -5.755702507e-01 4.62 -5.565974388e-01 4.64 -5.380320517e-01 4.66 -5.198668782e-01 4.68 -5.020942706e-01 4.70 -4.837157428e-01 4.72 -4.564915879e-01 4.74 -4.056075161e-01 4.76 -3.424295587e-01 4.78 -3.266344646e-01 4.80 -3.130988425e-01 4.82 -2.998788531e-01 4.84 -2.869712685e-01 4.86 -2.743731584e-01 4.88 -2.620818983e-01 4.90 -2.500951757e-01 4.92 -2.384109930e-01 4.94 -2.270276680e-01 4.96 -2.159438295e-01 4.98 -2.051584095e-01 5.00 -1.946706313e-01 5.02 -1.844799916e-01 5.04 -1.745862378e-01 5.06 -1.649893399e-01 5.08 -1.556894556e-01 5.10 -1.466868905e-01 5.12 -1.379820511e-01 5.14 -1.295753924e-01 5.16 -1.214673602e-01 5.18 -1.136583275e-01 5.20 -1.061485271e-01 5.22 -9.893798064e-02 5.24 -9.202642572e-02 5.26 -8.541324178e-02 5.28 -7.909737716e-02 5.30 -7.307727866e-02 5.32 -6.735082554e-02 5.34 -6.191527005e-02 5.36 -5.676718609e-02 5.38 -5.190242818e-02 5.40 -4.731610204e-02 5.42 -4.291737566e-02 5.44 -3.774881880e-02 5.46 -2.972077385e-02 5.48 -1.611245450e-02 5.50 -6.295719527e-23 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