# 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 = Al2Mg # 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 1.718677386e+02 1.16 1.594022240e+02 1.18 1.479072243e+02 1.20 1.372950181e+02 1.22 1.274858177e+02 1.24 1.184068212e+02 1.26 1.099941942e+02 1.28 1.021932608e+02 1.30 9.495573478e+01 1.32 8.823698527e+01 1.34 8.199549620e+01 1.36 7.619389291e+01 1.38 7.079953119e+01 1.40 6.578359908e+01 1.42 6.111927696e+01 1.44 5.677988250e+01 1.46 5.274082856e+01 1.48 4.898030100e+01 1.50 4.547439037e+01 1.52 4.220323285e+01 1.54 3.915083294e+01 1.56 3.630369184e+01 1.58 3.364949403e+01 1.60 3.117634864e+01 1.62 2.887245307e+01 1.64 2.672596911e+01 1.66 2.472507782e+01 1.68 2.285829128e+01 1.70 2.111495567e+01 1.72 1.948565315e+01 1.74 1.796223751e+01 1.76 1.653755190e+01 1.78 1.520511552e+01 1.80 1.395898762e+01 1.82 1.279379017e+01 1.84 1.170473542e+01 1.86 1.068755900e+01 1.88 9.738346149e+00 1.90 8.853313056e+00 1.92 8.028606697e+00 1.94 7.260190622e+00 1.96 6.543862178e+00 1.98 5.875406571e+00 2.00 5.250830803e+00 2.02 4.666583613e+00 2.04 4.119678219e+00 2.06 3.607680176e+00 2.08 3.128584916e+00 2.10 2.680649677e+00 2.12 2.262245482e+00 2.14 1.871763432e+00 2.16 1.507582052e+00 2.18 1.168080993e+00 2.20 8.516829119e-01 2.22 5.568993900e-01 2.24 2.823676677e-01 2.26 2.687012633e-02 2.28 -2.106621232e-01 2.30 -4.311563068e-01 2.32 -6.354127009e-01 2.34 -8.241211563e-01 2.36 -9.978836683e-01 2.38 -1.157239819e+00 2.40 -1.302696945e+00 2.42 -1.434927588e+00 2.44 -1.556127166e+00 2.46 -1.666723599e+00 2.48 -1.766731238e+00 2.50 -1.856357701e+00 2.52 -1.935988558e+00 2.54 -2.006163625e+00 2.56 -2.067546251e+00 2.58 -2.120887014e+00 2.60 -2.166991707e+00 2.62 -2.206689318e+00 2.64 -2.240749209e+00 2.66 -2.269832008e+00 2.68 -2.294463768e+00 2.70 -2.315030156e+00 2.72 -2.331790739e+00 2.74 -2.344905970e+00 2.76 -2.354467781e+00 2.78 -2.360526500e+00 2.80 -2.363111598e+00 2.82 -2.362243334e+00 2.84 -2.357940824e+00 2.86 -2.350225996e+00 2.88 -2.339127148e+00 2.90 -2.324683943e+00 2.92 -2.306955300e+00 2.94 -2.286030838e+00 2.96 -2.262045453e+00 2.98 -2.235195164e+00 3.00 -2.205750843e+00 3.02 -2.174065283e+00 3.04 -2.140569068e+00 3.06 -2.105752550e+00 3.08 -2.070134406e+00 3.10 -2.034222022e+00 3.12 -1.998471136e+00 3.14 -1.963254993e+00 3.16 -1.928851487e+00 3.18 -1.895434958e+00 3.20 -1.863070101e+00 3.22 -1.831748350e+00 3.24 -1.801409746e+00 3.26 -1.771963364e+00 3.28 -1.743303940e+00 3.30 -1.715323784e+00 3.32 -1.687920235e+00 3.34 -1.660999630e+00 3.36 -1.634478990e+00 3.38 -1.608286482e+00 3.40 -1.582358904e+00 3.42 -1.556634075e+00 3.44 -1.531059586e+00 3.46 -1.505596438e+00 3.48 -1.480218137e+00 3.50 -1.454909573e+00 3.52 -1.429665545e+00 3.54 -1.404489012e+00 3.56 -1.379389233e+00 3.58 -1.354379917e+00 3.60 -1.329477519e+00 3.62 -1.304699747e+00 3.64 -1.280064323e+00 3.66 -1.255588013e+00 3.68 -1.231285909e+00 3.70 -1.207170928e+00 3.72 -1.183253514e+00 3.74 -1.159541481e+00 3.76 -1.136039992e+00 3.78 -1.112751609e+00 3.80 -1.089676402e+00 3.82 -1.066812054e+00 3.84 -1.044153955e+00 3.86 -1.021695234e+00 3.88 -9.994267348e-01 3.90 -9.773369464e-01 3.92 -9.554119065e-01 3.94 -9.336351854e-01 3.96 -9.119878611e-01 3.98 -8.904487230e-01 4.00 -8.689945892e-01 4.02 -8.476008214e-01 4.04 -8.262420454e-01 4.06 -8.048930944e-01 4.08 -7.835301953e-01 4.10 -7.621320106e-01 4.12 -7.406830384e-01 4.14 -7.191728663e-01 4.16 -6.976001521e-01 4.18 -6.759742213e-01 4.20 -6.543169828e-01 4.22 -6.326643993e-01 4.24 -6.110672182e-01 4.26 -5.895906852e-01 4.28 -5.683130269e-01 4.30 -5.473226229e-01 4.32 -5.267139681e-01 4.34 -5.065827228e-01 4.36 -4.870203214e-01 4.38 -4.681087127e-01 4.40 -4.499158034e-01 4.42 -4.324920742e-01 4.44 -4.158686498e-01 4.46 -4.000568838e-01 4.48 -3.850493162e-01 4.50 -3.708217060e-01 4.52 -3.573357696e-01 4.54 -3.445422501e-01 4.56 -3.323839974e-01 4.58 -3.207988207e-01 4.60 -3.097219710e-01 4.62 -2.990881920e-01 4.64 -2.888333461e-01 4.66 -2.788956655e-01 4.68 -2.692167037e-01 4.70 -2.597420705e-01 4.72 -2.504220318e-01 4.74 -2.412120429e-01 4.76 -2.320732660e-01 4.78 -2.229731036e-01 4.80 -2.138855158e-01 4.82 -2.047926125e-01 4.84 -1.956835907e-01 4.86 -1.865563111e-01 4.88 -1.774172927e-01 4.90 -1.682817533e-01 4.92 -1.591733182e-01 4.94 -1.501233319e-01 4.96 -1.411697387e-01 4.98 -1.323555435e-01 5.00 -1.237269136e-01 5.02 -1.153310392e-01 5.04 -1.072139027e-01 5.06 -9.941813080e-02 5.08 -9.198110166e-02 5.10 -8.493344851e-02 5.12 -7.829805683e-02 5.14 -7.208959257e-02 5.16 -6.631454247e-02 5.18 -6.097169932e-02 5.20 -5.605299225e-02 5.22 -5.154454705e-02 5.24 -4.742786291e-02 5.26 -4.368100642e-02 5.28 -4.027974984e-02 5.30 -3.719855584e-02 5.32 -3.441146111e-02 5.34 -3.189278183e-02 5.36 -2.961759793e-02 5.38 -2.756119559e-02 5.40 -2.570159873e-02 5.42 -2.401903272e-02 5.44 -2.249502580e-02 5.46 -2.111257576e-02 5.48 -1.985620847e-02 5.50 -1.871196260e-02 5.52 -1.766732647e-02 5.54 -1.671114597e-02 5.56 -1.583351685e-02 5.58 -1.502567095e-02 5.60 -1.427986248e-02 5.62 -1.358925852e-02 5.64 -1.294783617e-02 5.66 -1.235028761e-02 5.68 -1.179193381e-02 5.70 -1.126864674e-02 5.72 -1.077677995e-02 5.74 -1.031310700e-02 5.76 -9.874767190e-03 5.78 -9.459217942e-03 5.80 -9.064193274e-03 5.82 -8.687667750e-03 5.84 -8.327825382e-03 5.86 -7.983032995e-03 5.88 -7.651817637e-03 5.90 -7.332847658e-03 5.92 -7.024917137e-03 5.94 -6.726933398e-03 5.96 -6.437907365e-03 5.98 -6.156946555e-03 6.00 -5.883250495e-03