# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Mg-Li # implementation = 2012--Kim-Y-M--Mg-Li--LAMMPS--ipr1 # composition = Li2Mg # 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 8.117540578e+00 0.92 7.954450705e+00 0.94 7.783796420e+00 0.96 7.606551811e+00 0.98 7.423624308e+00 1.00 7.235858423e+00 1.02 7.044039290e+00 1.04 6.848896022e+00 1.06 6.651104919e+00 1.08 6.451292484e+00 1.10 6.250038313e+00 1.12 6.047877818e+00 1.14 5.845304817e+00 1.16 5.642773987e+00 1.18 5.440703198e+00 1.20 5.239475708e+00 1.22 5.039442264e+00 1.24 4.840923075e+00 1.26 4.644209688e+00 1.28 4.449566767e+00 1.30 4.257233772e+00 1.32 4.067426548e+00 1.34 3.880338833e+00 1.36 3.696143677e+00 1.38 3.514994793e+00 1.40 3.337027826e+00 1.42 3.162361558e+00 1.44 2.991099040e+00 1.46 2.823328668e+00 1.48 2.659125195e+00 1.50 2.498550686e+00 1.52 2.341655422e+00 1.54 2.188478747e+00 1.56 2.039049875e+00 1.58 1.893388640e+00 1.60 1.751506212e+00 1.62 1.613405766e+00 1.64 1.479083113e+00 1.66 1.348527292e+00 1.68 1.221721133e+00 1.70 1.098641775e+00 1.72 9.792611645e-01 1.74 8.635465153e-01 1.76 7.514607435e-01 1.78 6.429628750e-01 1.80 5.380084264e-01 1.82 4.365497635e-01 1.84 3.385364355e-01 1.86 2.439154877e-01 1.88 1.526317546e-01 1.90 6.462813297e-02 1.92 -2.015416364e-02 1.94 -1.017753664e-01 1.96 -1.802969305e-01 1.98 -2.557813290e-01 2.00 -3.282918610e-01 2.02 -3.978924742e-01 2.04 -4.646476002e-01 2.06 -5.286220013e-01 2.08 -5.898806297e-01 2.10 -6.484884972e-01 2.12 -7.045105545e-01 2.14 -7.580115814e-01 2.16 -8.090560843e-01 2.18 -8.577082037e-01 2.20 -9.040316290e-01 2.22 -9.480895204e-01 2.24 -9.899444388e-01 2.26 -1.029658281e+00 2.28 -1.067292224e+00 2.30 -1.102906669e+00 2.32 -1.136561198e+00 2.34 -1.168314532e+00 2.36 -1.198224492e+00 2.38 -1.226347970e+00 2.40 -1.252740896e+00 2.42 -1.277458219e+00 2.44 -1.300553883e+00 2.46 -1.322087200e+00 2.48 -1.342569775e+00 2.50 -1.362583977e+00 2.52 -1.379691711e+00 2.54 -1.395432368e+00 2.56 -1.409853565e+00 2.58 -1.423001857e+00 2.60 -1.434922733e+00 2.62 -1.445660619e+00 2.64 -1.455258882e+00 2.66 -1.463759834e+00 2.68 -1.471204739e+00 2.70 -1.477633820e+00 2.72 -1.483086271e+00 2.74 -1.487600261e+00 2.76 -1.491212951e+00 2.78 -1.493960504e+00 2.80 -1.495878094e+00 2.82 -1.496999926e+00 2.84 -1.497359244e+00 2.86 -1.496988347e+00 2.88 -1.495918609e+00 2.90 -1.494180486e+00 2.92 -1.491803538e+00 2.94 -1.488816444e+00 2.96 -1.485247017e+00 2.98 -1.481122220e+00 3.00 -1.476468187e+00 3.02 -1.471413618e+00 3.04 -1.467252281e+00 3.06 -1.464304587e+00 3.08 -1.457821891e+00 3.10 -1.450869969e+00 3.12 -1.443530044e+00 3.14 -1.435822784e+00 3.16 -1.427768168e+00 3.18 -1.419385505e+00 3.20 -1.410693450e+00 3.22 -1.401710018e+00 3.24 -1.392452602e+00 3.26 -1.382937988e+00 3.28 -1.373182368e+00 3.30 -1.363201359e+00 3.32 -1.353010017e+00 3.34 -1.342622850e+00 3.36 -1.332053836e+00 3.38 -1.321316433e+00 3.40 -1.310423598e+00 3.42 -1.299387799e+00 3.44 -1.288221027e+00 3.46 -1.276934813e+00 3.48 -1.265540239e+00 3.50 -1.254047951e+00 3.52 -1.242468173e+00 3.54 -1.230810720e+00 3.56 -1.219085007e+00 3.58 -1.207300066e+00 3.60 -1.195464554e+00 3.62 -1.183586764e+00 3.64 -1.171674642e+00 3.66 -1.159735789e+00 3.68 -1.147777482e+00 3.70 -1.135806675e+00 3.72 -1.123830016e+00 3.74 -1.111853854e+00 3.76 -1.099884248e+00 3.78 -1.087926980e+00 3.80 -1.075987560e+00 3.82 -1.064071240e+00 3.84 -1.052183018e+00 3.86 -1.040327648e+00 3.88 -1.028509650e+00 3.90 -1.016733318e+00 3.92 -1.005002725e+00 3.94 -9.933217339e-01 3.96 -9.816940035e-01 3.98 -9.701229957e-01 4.00 -9.586119834e-01 4.02 -9.471640563e-01 4.04 -9.357821284e-01 4.06 -9.244689441e-01 4.08 -9.132270844e-01 4.10 -9.020589734e-01 4.12 -8.909668835e-01 4.14 -8.799529421e-01 4.16 -8.690191361e-01 4.18 -8.581673181e-01 4.20 -8.473992113e-01 4.22 -8.367164145e-01 4.24 -8.261204072e-01 4.26 -8.153256913e-01 4.28 -7.983274357e-01 4.30 -7.550790759e-01 4.32 -6.634981917e-01 4.34 -6.260090946e-01 4.36 -6.178330300e-01 4.38 -6.097414372e-01 4.40 -6.017347315e-01 4.42 -5.938132642e-01 4.44 -5.859773260e-01 4.46 -5.782271486e-01 4.48 -5.705629078e-01 4.50 -5.629847259e-01 4.52 -5.554926735e-01 4.54 -5.480867724e-01 4.56 -5.407669970e-01 4.58 -5.335332772e-01 4.60 -5.263854998e-01 4.62 -5.193235108e-01 4.64 -5.123471172e-01 4.66 -5.054560886e-01 4.68 -4.986501593e-01 4.70 -4.919290300e-01 4.72 -4.852923688e-01 4.74 -4.787398137e-01 4.76 -4.722709736e-01 4.78 -4.658854297e-01 4.80 -4.595827372e-01 4.82 -4.533624264e-01 4.84 -4.472240042e-01 4.86 -4.411669554e-01 4.88 -4.351907437e-01 4.90 -4.292948130e-01 4.92 -4.227116930e-01 4.94 -4.055825021e-01 4.96 -3.500100276e-01 4.98 -2.070133614e-01 5.00 -2.631077237e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00