# 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 = Mo2Pb # 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 4.603076591e+02 1.16 4.267071646e+02 1.18 3.957847570e+02 1.20 3.673191302e+02 1.22 3.410932156e+02 1.24 3.168974377e+02 1.26 2.945369849e+02 1.28 2.738373732e+02 1.30 2.546457653e+02 1.32 2.368294081e+02 1.34 2.202734091e+02 1.36 2.048785751e+02 1.38 1.905587123e+02 1.40 1.772371432e+02 1.42 1.648431684e+02 1.44 1.533096140e+02 1.46 1.425720200e+02 1.48 1.325691599e+02 1.50 1.232440996e+02 1.52 1.145450358e+02 1.54 1.064254657e+02 1.56 9.884362698e+01 1.58 9.176153427e+01 1.60 8.514398143e+01 1.62 7.895781252e+01 1.64 7.317182238e+01 1.66 6.776186252e+01 1.68 6.270171799e+01 1.70 5.796505373e+01 1.72 5.353474035e+01 1.74 4.939553047e+01 1.76 4.552958110e+01 1.78 4.192201856e+01 1.80 3.856027180e+01 1.82 3.543313555e+01 1.84 3.252981643e+01 1.86 2.983922420e+01 1.88 2.734965440e+01 1.90 2.504882037e+01 1.92 2.292410843e+01 1.94 2.096292170e+01 1.96 1.915297783e+01 1.98 1.748251964e+01 2.00 1.594041387e+01 2.02 1.451616008e+01 2.04 1.319984401e+01 2.06 1.198208052e+01 2.08 1.085398440e+01 2.10 9.807188116e+00 2.12 8.833914850e+00 2.14 7.927077043e+00 2.16 7.080374892e+00 2.18 6.288356688e+00 2.20 5.546414524e+00 2.22 4.850718026e+00 2.24 4.198098430e+00 2.26 3.585910351e+00 2.28 3.011895113e+00 2.30 2.474063581e+00 2.32 1.970599061e+00 2.34 1.499800551e+00 2.36 1.060208595e+00 2.38 6.504150028e-01 2.40 2.685162915e-01 2.42 -8.727867928e-02 2.44 -4.186330564e-01 2.46 -7.270778684e-01 2.48 -1.014004655e+00 2.50 -1.280660336e+00 2.52 -1.528110995e+00 2.54 -1.756912476e+00 2.56 -1.967363839e+00 2.58 -2.159768123e+00 2.60 -2.334433726e+00 2.62 -2.491676635e+00 2.64 -2.631831326e+00 2.66 -2.755252819e+00 2.68 -2.862329377e+00 2.70 -2.953487278e+00 2.72 -3.029193983e+00 2.74 -3.089958622e+00 2.76 -3.136330872e+00 2.78 -3.168899773e+00 2.80 -3.188295237e+00 2.82 -3.195191231e+00 2.84 -3.190314487e+00 2.86 -3.174455448e+00 2.88 -3.148480482e+00 2.90 -3.113342054e+00 2.92 -3.070083059e+00 2.94 -3.019831666e+00 2.96 -2.963784117e+00 2.98 -2.903174914e+00 3.00 -2.839236306e+00 3.02 -2.773151490e+00 3.04 -2.706007574e+00 3.06 -2.638754766e+00 3.08 -2.572177071e+00 3.10 -2.506877541e+00 3.12 -2.443276802e+00 3.14 -2.381631590e+00 3.16 -2.322045827e+00 3.18 -2.264502471e+00 3.20 -2.208891645e+00 3.22 -2.155096579e+00 3.24 -2.102805395e+00 3.26 -2.051625925e+00 3.28 -2.001159366e+00 3.30 -1.951018259e+00 3.32 -1.900833523e+00 3.34 -1.850218748e+00 3.36 -1.798835607e+00 3.38 -1.746438704e+00 3.40 -1.692889726e+00 3.42 -1.638166875e+00 3.44 -1.582364209e+00 3.46 -1.525685021e+00 3.48 -1.468425576e+00 3.50 -1.410952164e+00 3.52 -1.353673624e+00 3.54 -1.297012374e+00 3.56 -1.241377102e+00 3.58 -1.187139806e+00 3.60 -1.134618951e+00 3.62 -1.084069504e+00 3.64 -1.035679531e+00 3.66 -9.895722882e-01 3.68 -9.458122916e-01 3.70 -9.044137077e-01 3.72 -8.653496037e-01 3.74 -8.285609233e-01 3.76 -7.939644876e-01 3.78 -7.614597213e-01 3.80 -7.309341229e-01 3.82 -7.022676734e-01 3.84 -6.753364413e-01 3.86 -6.500155973e-01 3.88 -6.261819724e-01 3.90 -6.037162098e-01 3.92 -5.825045089e-01 3.94 -5.624399474e-01 3.96 -5.434233600e-01 3.98 -5.253638284e-01 4.00 -5.081788186e-01 4.02 -4.917939990e-01 4.04 -4.761428497e-01 4.06 -4.611661308e-01 4.08 -4.468104500e-01 4.10 -4.330273957e-01 4.12 -4.197806264e-01 4.14 -4.070316943e-01 4.16 -3.947483649e-01 4.18 -3.829019086e-01 4.20 -3.714666925e-01 4.22 -3.604197947e-01 4.24 -3.497406530e-01 4.26 -3.394107521e-01 4.28 -3.294133491e-01 4.30 -3.197332355e-01 4.32 -3.103565315e-01 4.34 -3.012705103e-01 4.36 -2.924634472e-01 4.38 -2.839244913e-01 4.40 -2.756435558e-01 4.42 -2.676112250e-01 4.44 -2.598186747e-01 4.46 -2.522576044e-01 4.48 -2.449201794e-01 4.50 -2.377989819e-01 4.52 -2.308869679e-01 4.54 -2.241774318e-01 4.56 -2.176639742e-01 4.58 -2.113404759e-01 4.60 -2.052010737e-01 4.62 -1.992401403e-01 4.64 -1.934522669e-01 4.66 -1.878322470e-01 4.68 -1.823750632e-01 4.70 -1.770758748e-01 4.72 -1.719300068e-01 4.74 -1.669329405e-01 4.76 -1.620803048e-01 4.78 -1.573678680e-01 4.80 -1.527904703e-01 4.82 -1.483464297e-01 4.84 -1.440306345e-01 4.86 -1.398393501e-01 4.88 -1.357689505e-01 4.90 -1.318159133e-01 4.92 -1.279768154e-01 4.94 -1.242483286e-01 4.96 -1.206272157e-01 4.98 -1.171103265e-01 5.00 -1.136945944e-01 5.02 -1.103770324e-01 5.04 -1.071547299e-01 5.06 -1.040248490e-01 5.08 -1.009846213e-01 5.10 -9.803134426e-02 5.12 -9.516237840e-02 5.14 -9.237514357e-02 5.16 -8.966711581e-02 5.18 -8.703582409e-02 5.20 -8.447884697e-02 5.22 -8.199380936e-02 5.24 -7.957837916e-02 5.26 -7.723026398e-02 5.28 -7.494720777e-02 5.30 -7.272698750e-02 5.32 -7.056740986e-02 5.34 -6.846630782e-02 5.36 -6.642153707e-02 5.38 -6.443097398e-02 5.40 -6.249251195e-02 5.42 -6.060405836e-02 5.44 -5.876353195e-02 5.46 -5.696886047e-02 5.48 -5.521797876e-02 5.50 -5.350882730e-02 5.52 -5.183935145e-02 5.54 -5.020750147e-02 5.56 -4.861123357e-02 5.58 -4.704851217e-02 5.60 -4.551731370e-02 5.62 -4.401563217e-02 5.64 -4.254148518e-02 5.66 -4.109292451e-02 5.68 -3.966804848e-02 5.70 -3.826501691e-02 5.72 -3.688206930e-02 5.74 -3.551754609e-02 5.76 -3.416991338e-02 5.78 -3.283779068e-02 5.80 -3.151998161e-02 5.82 -3.021550690e-02 5.84 -2.892363886e-02 5.86 -2.764393602e-02 5.88 -2.637627645e-02 5.90 -2.512088780e-02 5.92 -2.387837171e-02 5.94 -2.264969847e-02 5.96 -2.143613485e-02 5.98 -2.023946898e-02 6.00 -1.906187933e-02