# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = AlMg2 # 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 nan 0.98 nan 1.00 nan 1.02 nan 1.04 1.452636385e+02 1.06 1.352789885e+02 1.08 1.260741086e+02 1.10 1.175801422e+02 1.12 1.097350849e+02 1.14 1.024830163e+02 1.16 9.577342921e+01 1.18 8.956064106e+01 1.20 8.380327737e+01 1.22 7.846381659e+01 1.24 7.350811596e+01 1.26 6.882760951e+01 1.28 6.425807964e+01 1.30 5.985227556e+01 1.32 5.566283726e+01 1.34 5.170612094e+01 1.36 4.798801900e+01 1.38 4.450756036e+01 1.40 4.125897279e+01 1.42 3.823325554e+01 1.44 3.541936744e+01 1.46 3.280511181e+01 1.48 3.037778608e+01 1.50 2.812464767e+01 1.52 2.603323953e+01 1.54 2.409160771e+01 1.56 2.228843827e+01 1.58 2.061313363e+01 1.60 1.905584523e+01 1.62 1.760747444e+01 1.64 1.625965215e+01 1.66 1.500470382e+01 1.68 1.383560598e+01 1.70 1.274593808e+01 1.72 1.172983279e+01 1.74 1.078192673e+01 1.76 9.897313284e+00 1.78 9.071498191e+00 1.80 8.300358538e+00 1.82 7.580105454e+00 1.84 6.907250446e+00 1.86 6.278575366e+00 1.88 5.691105741e+00 1.90 5.142087275e+00 1.92 4.628965188e+00 1.94 4.149366136e+00 1.96 3.701082390e+00 1.98 3.282058005e+00 2.00 2.890376718e+00 2.02 2.524251333e+00 2.04 2.182014338e+00 2.06 1.862109381e+00 2.08 1.563084134e+00 2.10 1.283583882e+00 2.12 1.022345580e+00 2.14 7.781924441e-01 2.16 5.500290048e-01 2.18 3.368365308e-01 2.20 1.376687821e-01 2.22 -4.835197649e-02 2.24 -2.220387233e-01 2.26 -3.841432421e-01 2.28 -5.353595279e-01 2.30 -6.763287084e-01 2.32 -8.076471827e-01 2.34 -9.298711313e-01 2.36 -1.043519114e+00 2.38 -1.149074428e+00 2.40 -1.246987274e+00 2.42 -1.337676754e+00 2.44 -1.421532729e+00 2.46 -1.498917549e+00 2.48 -1.570167681e+00 2.50 -1.635595701e+00 2.52 -1.695496187e+00 2.54 -1.750150706e+00 2.56 -1.799828656e+00 2.58 -1.844787745e+00 2.60 -1.885274448e+00 2.62 -1.921524446e+00 2.64 -1.953763059e+00 2.66 -1.982205650e+00 2.68 -2.007058030e+00 2.70 -2.028516832e+00 2.72 -2.046769884e+00 2.74 -2.061996565e+00 2.76 -2.074368143e+00 2.78 -2.084048108e+00 2.80 -2.091192487e+00 2.82 -2.095950152e+00 2.84 -2.098463109e+00 2.86 -2.098866787e+00 2.88 -2.097290306e+00 2.90 -2.093856739e+00 2.92 -2.088683367e+00 2.94 -2.081881917e+00 2.96 -2.073559011e+00 2.98 -2.063831305e+00 3.00 -2.052813189e+00 3.02 -2.040512950e+00 3.04 -2.027067808e+00 3.06 -2.012560773e+00 3.08 -1.997070752e+00 3.10 -1.980672730e+00 3.12 -1.963437938e+00 3.14 -1.945434016e+00 3.16 -1.926725168e+00 3.18 -1.907372314e+00 3.20 -1.887433232e+00 3.22 -1.866962696e+00 3.24 -1.846012610e+00 3.26 -1.824632135e+00 3.28 -1.802867809e+00 3.30 -1.780763666e+00 3.32 -1.758361347e+00 3.34 -1.735700211e+00 3.36 -1.712817433e+00 3.38 -1.689748105e+00 3.40 -1.666525334e+00 3.42 -1.643180329e+00 3.44 -1.619742490e+00 3.46 -1.596239491e+00 3.48 -1.572697360e+00 3.50 -1.549140558e+00 3.52 -1.525592047e+00 3.54 -1.502073367e+00 3.56 -1.478604699e+00 3.58 -1.455204933e+00 3.60 -1.431891724e+00 3.62 -1.408681560e+00 3.64 -1.385590172e+00 3.66 -1.362633590e+00 3.68 -1.339822632e+00 3.70 -1.317167941e+00 3.72 -1.294683037e+00 3.74 -1.272378482e+00 3.76 -1.250264016e+00 3.78 -1.228348594e+00 3.80 -1.206640434e+00 3.82 -1.185147046e+00 3.84 -1.163875275e+00 3.86 -1.142831333e+00 3.88 -1.122020832e+00 3.90 -1.101448817e+00 3.92 -1.081119796e+00 3.94 -1.061037766e+00 3.96 -1.041206247e+00 3.98 -1.021628302e+00 4.00 -1.002306565e+00 4.02 -9.832432645e-01 4.04 -9.644402480e-01 4.06 -9.458990016e-01 4.08 -9.276206718e-01 4.10 -9.096060860e-01 4.12 -8.918557705e-01 4.14 -8.743699692e-01 4.16 -8.571486608e-01 4.18 -8.401915749e-01 4.20 -8.234982080e-01 4.22 -8.070678383e-01 4.24 -7.908995398e-01 4.26 -7.749921958e-01 4.28 -7.593445121e-01 4.30 -7.439550286e-01 4.32 -7.288221317e-01 4.34 -7.139440646e-01 4.36 -6.993189383e-01 4.38 -6.849447415e-01 4.40 -6.708193500e-01 4.42 -6.569405357e-01 4.44 -6.433059751e-01 4.46 -6.299132578e-01 4.48 -6.167598935e-01 4.50 -6.038433200e-01 4.52 -5.911609096e-01 4.54 -5.787099758e-01 4.56 -5.664877796e-01 4.58 -5.544915354e-01 4.60 -5.427184162e-01 4.62 -5.311655592e-01 4.64 -5.198300706e-01 4.66 -5.087090302e-01 4.68 -4.977994960e-01 4.70 -4.870985082e-01 4.72 -4.766030933e-01 4.74 -4.663102674e-01 4.76 -4.562170403e-01 4.78 -4.463204179e-01 4.80 -4.366174062e-01 4.82 -4.271050135e-01 4.84 -4.177802533e-01 4.86 -4.086401470e-01 4.88 -3.996817259e-01 4.90 -3.909020338e-01 4.92 -3.822981287e-01 4.94 -3.738670849e-01 4.96 -3.656059948e-01 4.98 -3.575119705e-01 5.00 -3.495821452e-01 5.02 -3.418136750e-01 5.04 -3.342037398e-01 5.06 -3.267495446e-01 5.08 -3.194483208e-01 5.10 -3.122973269e-01 5.12 -3.052930722e-01 5.14 -2.983755927e-01 5.16 -2.908784499e-01 5.18 -2.848786728e-01 5.20 -2.950612099e-01 5.22 -2.888584965e-01 5.24 -2.827705665e-01 5.26 -2.767956258e-01 5.28 -2.709318924e-01 5.30 -2.651775969e-01 5.32 -2.595309834e-01 5.34 -2.539903104e-01 5.36 -2.485538508e-01 5.38 -2.432198931e-01 5.40 -2.379867412e-01 5.42 -2.328527155e-01 5.44 -2.278161530e-01 5.46 -2.228754078e-01 5.48 -2.180288512e-01 5.50 -2.132748723e-01 5.52 -2.086118784e-01 5.54 -2.040382947e-01 5.56 -1.995525652e-01 5.58 -1.951531524e-01 5.60 -1.908385378e-01 5.62 -1.866072217e-01 5.64 -1.824577237e-01 5.66 -1.783885827e-01 5.68 -1.743983568e-01 5.70 -1.704856234e-01 5.72 -1.666489796e-01 5.74 -1.628870417e-01 5.76 -1.591984456e-01 5.78 -1.555818468e-01 5.80 -1.520359199e-01 5.82 -1.485593592e-01 5.84 -1.451508782e-01 5.86 -1.418092098e-01 5.88 -1.385331062e-01 5.90 -1.353213385e-01 5.92 -1.322179583e-01 5.94 -1.296826361e-01 5.96 -1.255100915e-01 5.98 -9.462442513e-02 6.00 -2.875916786e-22