# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Liu-X-Y-Ohotnicky-P-P-Adams-J-B-et-al--Al-Mg # implementation = 1997--Liu-X-Y--Al-Mg--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 8.634828625e+01 1.02 8.111864053e+01 1.04 7.623450033e+01 1.06 7.163037315e+01 1.08 6.727946375e+01 1.10 6.310450820e+01 1.12 5.918486642e+01 1.14 5.550657088e+01 1.16 5.207324348e+01 1.18 4.888260627e+01 1.20 4.590011913e+01 1.22 4.314028871e+01 1.24 4.058442139e+01 1.26 3.819253026e+01 1.28 3.594909888e+01 1.30 3.384000562e+01 1.32 3.187765513e+01 1.34 3.007165866e+01 1.36 2.840977061e+01 1.38 2.687738527e+01 1.40 2.543358425e+01 1.42 2.407267306e+01 1.44 2.281724400e+01 1.46 2.167654390e+01 1.48 2.064375943e+01 1.50 1.968559142e+01 1.52 1.876805778e+01 1.54 1.788005703e+01 1.56 1.702874680e+01 1.58 1.622793405e+01 1.60 1.548979271e+01 1.62 1.481908310e+01 1.64 1.419778143e+01 1.66 1.360191713e+01 1.68 1.301441700e+01 1.70 1.242878499e+01 1.72 1.184806462e+01 1.74 1.127749188e+01 1.76 1.072618716e+01 1.78 1.020527236e+01 1.80 9.714933250e+00 1.82 9.239375947e+00 1.84 8.780502459e+00 1.86 8.335181085e+00 1.88 7.895788242e+00 1.90 7.455304699e+00 1.92 7.009101851e+00 1.94 6.559640675e+00 1.96 6.114352854e+00 1.98 5.674986569e+00 2.00 5.243324934e+00 2.02 4.822274697e+00 2.04 4.413975148e+00 2.06 4.010054691e+00 2.08 3.608620563e+00 2.10 3.211018279e+00 2.12 2.825560495e+00 2.14 2.460137275e+00 2.16 2.116597985e+00 2.18 1.795791298e+00 2.20 1.496423453e+00 2.22 1.217774081e+00 2.24 9.580587681e-01 2.26 7.135888185e-01 2.28 4.818725632e-01 2.30 2.619037859e-01 2.32 5.359066535e-02 2.34 -1.430974567e-01 2.36 -3.279333575e-01 2.38 -5.001195857e-01 2.40 -6.584692359e-01 2.42 -8.020795653e-01 2.44 -9.318649101e-01 2.46 -1.052342402e+00 2.48 -1.163758396e+00 2.50 -1.266159266e+00 2.52 -1.359327286e+00 2.54 -1.442774628e+00 2.56 -1.516723329e+00 2.58 -1.581408640e+00 2.60 -1.637081907e+00 2.62 -1.684256491e+00 2.64 -1.723722147e+00 2.66 -1.756811679e+00 2.68 -1.784761454e+00 2.70 -1.808812202e+00 2.72 -1.829662372e+00 2.74 -1.847321430e+00 2.76 -1.860976584e+00 2.78 -1.869410312e+00 2.80 -1.871508147e+00 2.82 -1.866759465e+00 2.84 -1.855395053e+00 2.86 -1.838304278e+00 2.88 -1.817408772e+00 2.90 -1.794521402e+00 2.92 -1.770496840e+00 2.94 -1.746487373e+00 2.96 -1.723836468e+00 2.98 -1.703861617e+00 3.00 -1.687412675e+00 3.02 -1.674184056e+00 3.04 -1.663544638e+00 3.06 -1.654795401e+00 3.08 -1.647202029e+00 3.10 -1.640004774e+00 3.12 -1.632398534e+00 3.14 -1.623524230e+00 3.16 -1.612509705e+00 3.18 -1.598471247e+00 3.20 -1.581658549e+00 3.22 -1.564699680e+00 3.24 -1.547629568e+00 3.26 -1.530255597e+00 3.28 -1.512374983e+00 3.30 -1.493725614e+00 3.32 -1.474436998e+00 3.34 -1.455013688e+00 3.36 -1.435263230e+00 3.38 -1.414410125e+00 3.40 -1.392441992e+00 3.42 -1.368940384e+00 3.44 -1.343277245e+00 3.46 -1.317199063e+00 3.48 -1.293341102e+00 3.50 -1.273355917e+00 3.52 -1.254348574e+00 3.54 -1.236022348e+00 3.56 -1.218438530e+00 3.58 -1.201584137e+00 3.60 -1.185413908e+00 3.62 -1.169865197e+00 3.64 -1.154869214e+00 3.66 -1.140351025e+00 3.68 -1.126239575e+00 3.70 -1.112471915e+00 3.72 -1.098992361e+00 3.74 -1.085751924e+00 3.76 -1.072707822e+00 3.78 -1.059823378e+00 3.80 -1.047057713e+00 3.82 -1.034375279e+00 3.84 -1.021767288e+00 3.86 -1.009235049e+00 3.88 -9.967826932e-01 3.90 -9.844170947e-01 3.92 -9.721481467e-01 3.94 -9.599907518e-01 3.96 -9.479700599e-01 3.98 -9.361169141e-01 4.00 -9.244665504e-01 4.02 -9.130592053e-01 4.04 -9.020854971e-01 4.06 -8.920404018e-01 4.08 -8.833733253e-01 4.10 -8.763263776e-01 4.12 -8.698041654e-01 4.14 -8.635231708e-01 4.16 -8.574342689e-01 4.18 -8.514896327e-01 4.20 -8.456428464e-01 4.22 -8.398482973e-01 4.24 -8.340571151e-01 4.26 -8.282145663e-01 4.28 -8.222650207e-01 4.30 -8.161542787e-01 4.32 -8.098311787e-01 4.34 -8.032510695e-01 4.36 -7.964142336e-01 4.38 -7.893442846e-01 4.40 -7.820646994e-01 4.42 -7.745987573e-01 4.44 -7.669690086e-01 4.46 -7.591978976e-01 4.48 -7.513077549e-01 4.50 -7.433206788e-01 4.52 -7.352582522e-01 4.54 -7.271381418e-01 4.56 -7.189756140e-01 4.58 -7.107911489e-01 4.60 -7.026103348e-01 4.62 -6.944518834e-01 4.64 -6.863026313e-01 4.66 -6.781418374e-01 4.68 -6.699510706e-01 4.70 -6.617139465e-01 4.72 -6.534162946e-01 4.74 -6.450458728e-01 4.76 -6.365924694e-01 4.78 -6.280476665e-01 4.80 -6.194045735e-01 4.82 -6.106575837e-01 4.84 -6.018016433e-01 4.86 -5.928318205e-01 4.88 -5.837430142e-01 4.90 -5.745437651e-01 4.92 -5.652682809e-01 4.94 -5.559526284e-01 4.96 -5.466344971e-01 4.98 -5.373554727e-01 5.00 -5.281470496e-01 5.02 -5.190170349e-01 5.04 -5.099663037e-01 5.06 -5.009926386e-01 5.08 -4.920879556e-01 5.10 -4.832376012e-01 5.12 -4.744250506e-01 5.14 -4.656330425e-01 5.16 -4.568426226e-01 5.18 -4.480078360e-01 5.20 -4.390558706e-01 5.22 -4.299139731e-01 5.24 -4.205115642e-01 5.26 -4.107827665e-01 5.28 -4.006648349e-01 5.30 -3.900975316e-01 5.32 -3.790268874e-01 5.34 -3.674331065e-01 5.36 -3.553165550e-01 5.38 -3.426817665e-01 5.40 -3.295378914e-01 5.42 -3.159001078e-01 5.44 -3.017943564e-01 5.46 -2.872955074e-01 5.48 -2.725062343e-01 5.50 -2.575336731e-01 5.52 -2.424894686e-01 5.54 -2.274889655e-01 5.56 -2.126465732e-01 5.58 -1.978668343e-01 5.60 -1.830679127e-01 5.62 -1.683385920e-01 5.64 -1.537634492e-01 5.66 -1.394280904e-01 5.68 -1.254182093e-01 5.70 -1.118739484e-01 5.72 -9.918047949e-02 5.74 -8.775800302e-02 5.76 -7.803934724e-02 5.78 -7.043327067e-02 5.80 -6.469927607e-02 5.82 -5.994108478e-02 5.84 -5.602005451e-02 5.86 -5.287826143e-02 5.88 -5.045380825e-02 5.90 -4.868133890e-02 5.92 -4.749238535e-02 5.94 -4.681575142e-02 5.96 -4.657793408e-02 5.98 -4.670340226e-02 6.00 -4.711500649e-02