# 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 = Pb2Pt # 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 5.094278816e+02 1.16 4.746408642e+02 1.18 4.424264790e+02 1.20 4.125634334e+02 1.22 3.848456916e+02 1.24 3.590862147e+02 1.26 3.351164689e+02 1.28 3.127853152e+02 1.30 2.919590068e+02 1.32 2.725206291e+02 1.34 2.543676281e+02 1.36 2.374074840e+02 1.38 2.215535283e+02 1.40 2.067235764e+02 1.42 1.928413434e+02 1.44 1.798378932e+02 1.46 1.676514004e+02 1.48 1.562259118e+02 1.50 1.455100520e+02 1.52 1.354555082e+02 1.54 1.260156086e+02 1.56 1.171450890e+02 1.58 1.088011750e+02 1.60 1.009449869e+02 1.62 9.356151123e+01 1.64 8.669621521e+01 1.66 8.032503120e+01 1.68 7.441213611e+01 1.70 6.892516892e+01 1.72 6.383477345e+01 1.74 5.911372100e+01 1.76 5.473588228e+01 1.78 5.067564378e+01 1.80 4.690804418e+01 1.82 4.340929186e+01 1.84 4.015732915e+01 1.86 3.713215448e+01 1.88 3.431594657e+01 1.90 3.169299195e+01 1.92 2.924946066e+01 1.94 2.697306555e+01 1.96 2.485268817e+01 1.98 2.287803687e+01 2.00 2.103941832e+01 2.02 1.932764175e+01 2.04 1.773400869e+01 2.06 1.625033256e+01 2.08 1.486895451e+01 2.10 1.358273908e+01 2.12 1.238506130e+01 2.14 1.126978707e+01 2.16 1.023125173e+01 2.18 9.264239480e+00 2.20 8.363955742e+00 2.22 7.525998814e+00 2.24 6.746325717e+00 2.26 6.021216208e+00 2.28 5.347237609e+00 2.30 4.721205386e+00 2.32 4.140145544e+00 2.34 3.601263452e+00 2.36 3.101911545e+00 2.38 2.638647261e+00 2.40 2.208285059e+00 2.42 1.808977467e+00 2.44 1.438933028e+00 2.46 1.096431608e+00 2.48 7.798354748e-01 2.50 4.875904178e-01 2.52 2.182176688e-01 2.54 -2.969798604e-02 2.56 -2.575164826e-01 2.58 -4.665419337e-01 2.60 -6.580133400e-01 2.62 -8.330906867e-01 2.64 -9.928482701e-01 2.66 -1.138265257e+00 2.68 -1.270233456e+00 2.70 -1.389564357e+00 2.72 -1.496998884e+00 2.74 -1.593216487e+00 2.76 -1.678842748e+00 2.78 -1.754455333e+00 2.80 -1.820592381e+00 2.82 -1.877756628e+00 2.84 -1.926427439e+00 2.86 -1.967072731e+00 2.88 -2.000164144e+00 2.90 -2.026193300e+00 2.92 -2.045686247e+00 2.94 -2.059212079e+00 2.96 -2.067381764e+00 2.98 -2.070834818e+00 3.00 -2.070214734e+00 3.02 -2.066137846e+00 3.04 -2.059161988e+00 3.06 -2.049767835e+00 3.08 -2.038342834e+00 3.10 -2.025188514e+00 3.12 -2.010531023e+00 3.14 -1.994555225e+00 3.16 -1.977461133e+00 3.18 -1.959314941e+00 3.20 -1.940157792e+00 3.22 -1.920046314e+00 3.24 -1.899097700e+00 3.26 -1.877431240e+00 3.28 -1.855144642e+00 3.30 -1.832317063e+00 3.32 -1.809012515e+00 3.34 -1.785281220e+00 3.36 -1.761152639e+00 3.38 -1.736647570e+00 3.40 -1.711787478e+00 3.42 -1.686596755e+00 3.44 -1.661100454e+00 3.46 -1.635325777e+00 3.48 -1.609301045e+00 3.50 -1.583055044e+00 3.52 -1.556616404e+00 3.54 -1.530013157e+00 3.56 -1.503272530e+00 3.58 -1.476421016e+00 3.60 -1.449484732e+00 3.62 -1.422490005e+00 3.64 -1.395464110e+00 3.66 -1.368436020e+00 3.68 -1.341437002e+00 3.70 -1.314500895e+00 3.72 -1.287663934e+00 3.74 -1.260964067e+00 3.76 -1.234439819e+00 3.78 -1.208128878e+00 3.80 -1.182066624e+00 3.82 -1.156284879e+00 3.84 -1.130811069e+00 3.86 -1.105667882e+00 3.88 -1.080873420e+00 3.90 -1.056441713e+00 3.92 -1.032382503e+00 3.94 -1.008705863e+00 3.96 -9.854167674e-01 3.98 -9.625198551e-01 4.00 -9.400186029e-01 4.02 -9.179154595e-01 4.04 -8.962118461e-01 4.06 -8.749080710e-01 4.08 -8.540032015e-01 4.10 -8.334941047e-01 4.12 -8.133787877e-01 4.14 -7.936508523e-01 4.16 -7.743033088e-01 4.18 -7.553275535e-01 4.20 -7.367134149e-01 4.22 -7.184492371e-01 4.24 -7.005219922e-01 4.26 -6.829174118e-01 4.28 -6.656201292e-01 4.30 -6.486138205e-01 4.32 -6.318813356e-01 4.34 -6.154048101e-01 4.36 -5.991657523e-01 4.38 -5.831451021e-01 4.40 -5.673232634e-01 4.42 -5.516801148e-01 4.44 -5.361950100e-01 4.46 -5.208467829e-01 4.48 -5.056137782e-01 4.50 -4.904739297e-01 4.52 -4.754049134e-01 4.54 -4.603844036e-01 4.56 -4.453904568e-01 4.58 -4.304020482e-01 4.60 -4.153997779e-01 4.62 -4.003667532e-01 4.64 -3.852896385e-01 4.66 -3.701598466e-01 4.68 -3.549748174e-01 4.70 -3.397393045e-01 4.72 -3.244665611e-01 4.74 -3.091792936e-01 4.76 -2.939102345e-01 4.78 -2.787021929e-01 4.80 -2.636055015e-01 4.82 -2.486848567e-01 4.84 -2.340045814e-01 4.86 -2.196348529e-01 4.88 -2.056463078e-01 4.90 -1.921067777e-01 4.92 -1.790781250e-01 4.94 -1.666134644e-01 4.96 -1.547550155e-01 4.98 -1.435327469e-01 5.00 -1.329638794e-01 5.02 -1.230532117e-01 5.04 -1.137941522e-01 5.06 -1.051702843e-01 5.08 -9.715726703e-02 5.10 -8.972487838e-02 5.12 -8.283903258e-02 5.14 -7.646363415e-02 5.16 -7.056217538e-02 5.18 -6.509904278e-02 5.20 -6.004048977e-02 5.22 -5.535529368e-02 5.24 -5.101510773e-02 5.26 -4.699456250e-02 5.28 -4.327116228e-02 5.30 -3.982502476e-02 5.32 -3.663851792e-02 5.34 -3.369540985e-02 5.36 -3.098039952e-02 5.38 -2.848085000e-02 5.40 -2.618464174e-02 5.42 -2.407986468e-02 5.44 -2.215470514e-02 5.46 -2.039739588e-02 5.48 -1.879622220e-02 5.50 -1.733957192e-02 5.52 -1.601601487e-02 5.54 -1.481439740e-02 5.56 -1.372393955e-02 5.58 -1.273432479e-02 5.60 -1.183577595e-02 5.62 -1.101911327e-02 5.64 -1.027579353e-02 5.66 -9.597930755e-03 5.68 -8.978300391e-03 5.70 -8.410329759e-03 5.72 -7.888077583e-03 5.74 -7.406205599e-03 5.76 -6.959944887e-03 5.78 -6.545059200e-03 5.80 -6.157807164e-03 5.82 -5.794904715e-03 5.84 -5.453488767e-03 5.86 -5.131082700e-03 5.88 -4.825563915e-03 5.90 -4.535133483e-03 5.92 -4.258287644e-03 5.94 -3.993790491e-03 5.96 -3.740647049e-03 5.98 -3.498081449e-03 6.00 -3.265509920e-03