# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Al-Awad-A-S-Batet-L-Sedano-L--Pb-Li # implementation = 2023--Al-Awad-A-S--Pb-Li--LAMMPS--ipr1 # composition = LiPb2 # 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 2023-10-24 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 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 3.062342382e+02 1.30 2.877264072e+02 1.32 2.702744712e+02 1.34 2.540037325e+02 1.36 2.387092099e+02 1.38 2.243448569e+02 1.40 2.109439539e+02 1.42 1.983332012e+02 1.44 1.863129759e+02 1.46 1.751323652e+02 1.48 1.646851884e+02 1.50 1.548571785e+02 1.52 1.454945453e+02 1.54 1.367436952e+02 1.56 1.285510523e+02 1.58 1.208184990e+02 1.60 1.134742868e+02 1.62 1.065941209e+02 1.64 1.000740438e+02 1.66 9.388106246e+01 1.68 8.799376573e+01 1.70 8.231689693e+01 1.72 7.702346607e+01 1.74 7.203280701e+01 1.76 6.727196456e+01 1.78 6.278347456e+01 1.80 5.852157988e+01 1.82 5.441107298e+01 1.84 5.055449547e+01 1.86 4.694510850e+01 1.88 4.351059448e+01 1.90 4.021182779e+01 1.92 3.712548315e+01 1.94 3.419211380e+01 1.96 3.139635955e+01 1.98 2.874046253e+01 2.00 2.618504774e+01 2.02 2.380587815e+01 2.04 2.156399790e+01 2.06 1.949351654e+01 2.08 1.758428779e+01 2.10 1.581843574e+01 2.12 1.424601059e+01 2.14 1.280201923e+01 2.16 1.147295355e+01 2.18 1.024317047e+01 2.20 9.078821731e+00 2.22 8.075915619e+00 2.24 7.165498067e+00 2.26 6.329979243e+00 2.28 5.561994606e+00 2.30 4.849959717e+00 2.32 4.188752543e+00 2.34 3.576930896e+00 2.36 3.014443888e+00 2.38 2.511947463e+00 2.40 2.049647101e+00 2.42 1.622526287e+00 2.44 1.226748032e+00 2.46 8.625445688e-01 2.48 5.299465585e-01 2.50 2.381171915e-01 2.52 -3.656843590e-02 2.54 -2.703234864e-01 2.56 -4.833730884e-01 2.58 -6.794922149e-01 2.60 -8.565539381e-01 2.62 -1.015458502e+00 2.64 -1.151169396e+00 2.66 -1.273006043e+00 2.68 -1.382888139e+00 2.70 -1.480862922e+00 2.72 -1.560618209e+00 2.74 -1.629589801e+00 2.76 -1.691740646e+00 2.78 -1.744664724e+00 2.80 -1.790816326e+00 2.82 -1.829619630e+00 2.84 -1.860767708e+00 2.86 -1.884599232e+00 2.88 -1.902160873e+00 2.90 -1.915021128e+00 2.92 -1.925064981e+00 2.94 -1.934308396e+00 2.96 -1.940191402e+00 2.98 -1.937140196e+00 3.00 -1.930479143e+00 3.02 -1.921771893e+00 3.04 -1.912366403e+00 3.06 -1.900880126e+00 3.08 -1.886764882e+00 3.10 -1.871308694e+00 3.12 -1.855570241e+00 3.14 -1.840818231e+00 3.16 -1.826453966e+00 3.18 -1.810038570e+00 3.20 -1.792632752e+00 3.22 -1.779950810e+00 3.24 -1.770581179e+00 3.26 -1.761852157e+00 3.28 -1.753158051e+00 3.30 -1.743819029e+00 3.32 -1.731898779e+00 3.34 -1.717865989e+00 3.36 -1.702511874e+00 3.38 -1.686442790e+00 3.40 -1.670375283e+00 3.42 -1.655188286e+00 3.44 -1.641705266e+00 3.46 -1.629907582e+00 3.48 -1.618106989e+00 3.50 -1.601921968e+00 3.52 -1.585590993e+00 3.54 -1.568847823e+00 3.56 -1.551932129e+00 3.58 -1.534960049e+00 3.60 -1.517164706e+00 3.62 -1.500299634e+00 3.64 -1.483580521e+00 3.66 -1.467064747e+00 3.68 -1.450676536e+00 3.70 -1.434340254e+00 3.72 -1.418008097e+00 3.74 -1.401689265e+00 3.76 -1.385477248e+00 3.78 -1.369570285e+00 3.80 -1.354012472e+00 3.82 -1.338669830e+00 3.84 -1.322012689e+00 3.86 -1.305362113e+00 3.88 -1.289260021e+00 3.90 -1.273468239e+00 3.92 -1.253441302e+00 3.94 -1.238091728e+00 3.96 -1.222995798e+00 3.98 -1.207988703e+00 4.00 -1.192891799e+00 4.02 -1.177598029e+00 4.04 -1.162078322e+00 4.06 -1.146353377e+00 4.08 -1.130480684e+00 4.10 -1.114539077e+00 4.12 -1.098612629e+00 4.14 -1.082775801e+00 4.16 -1.067081385e+00 4.18 -1.051552344e+00 4.20 -1.036178238e+00 4.22 -1.020916561e+00 4.24 -1.005698836e+00 4.26 -9.904409691e-01 4.28 -9.750569220e-01 4.30 -9.594743575e-01 4.32 -9.436505101e-01 4.34 -9.275861222e-01 4.36 -9.113348767e-01 4.38 -8.950053486e-01 4.40 -8.787520902e-01 4.42 -8.627520549e-01 4.44 -8.471621563e-01 4.46 -8.320533502e-01 4.48 -8.173162190e-01 4.50 -8.025326281e-01 4.52 -7.854103314e-01 4.54 -7.704059058e-01 4.56 -7.556838934e-01 4.58 -7.413286603e-01 4.60 -7.249543084e-01 4.62 -7.118816587e-01 4.64 -6.995402792e-01 4.66 -6.878176198e-01 4.68 -6.755267833e-01 4.70 -6.618855058e-01 4.72 -6.461292763e-01 4.74 -6.324775277e-01 4.76 -6.194002138e-01 4.78 -6.070122790e-01 4.80 -5.952968877e-01 4.82 -5.841604079e-01 4.84 -5.734740581e-01 4.86 -5.631040937e-01 4.88 -5.529322917e-01 4.90 -5.428683658e-01 4.92 -5.328558292e-01 4.94 -5.228726954e-01 4.96 -5.129282896e-01 4.98 -5.030573213e-01 5.00 -4.933122471e-01 5.02 -4.837548314e-01 5.04 -4.744476924e-01 5.06 -4.654464987e-01 5.08 -4.567933610e-01 5.10 -4.485118418e-01 5.12 -4.406038862e-01 5.14 -4.330488533e-01 5.16 -4.258047084e-01 5.18 -4.188113148e-01 5.20 -4.119956422e-01 5.22 -4.052785868e-01 5.24 -3.985829801e-01 5.26 -3.918422376e-01 5.28 -3.850089815e-01 5.30 -3.780628479e-01 5.32 -3.710165690e-01 5.34 -3.639192985e-01 5.36 -3.568560282e-01 5.38 -3.499418231e-01 5.40 -3.433094781e-01 5.42 -3.370890824e-01 5.44 -3.313778536e-01 5.46 -3.261984832e-01 5.48 -3.214441134e-01 5.50 -3.168079457e-01 5.52 -3.064891807e-01 5.54 -3.012587297e-01 5.56 -2.961205300e-01 5.58 -2.910737585e-01 5.60 -2.861176608e-01 5.62 -2.812515352e-01 5.64 -2.764747163e-01 5.66 -2.717865579e-01 5.68 -2.671864155e-01 5.70 -2.626736287e-01 5.72 -2.582475038e-01 5.74 -2.539072967e-01 5.76 -2.496521956e-01 5.78 -2.454813057e-01 5.80 -2.413936339e-01 5.82 -2.373880744e-01 5.84 -2.334633971e-01 5.86 -2.296182365e-01 5.88 -2.258510828e-01 5.90 -2.221602762e-01 5.92 -2.185440026e-01 5.94 -2.150002927e-01 5.96 -2.115270249e-01 5.98 -2.081219306e-01 6.00 -2.047826046e-01