# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM2_WHHe__MO_626183701337_000 # composition = H2He # 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 1.384716418e+01 0.98 1.224091565e+01 1.00 1.081910491e+01 1.02 9.556517681e+00 1.04 8.431679584e+00 1.06 7.423615234e+00 1.08 6.516902204e+00 1.10 5.699123786e+00 1.12 4.958924445e+00 1.14 4.290284436e+00 1.16 3.689065690e+00 1.18 3.151174511e+00 1.20 2.672739720e+00 1.22 2.249851600e+00 1.24 1.878498684e+00 1.26 1.555050061e+00 1.28 1.276069013e+00 1.30 1.038024275e+00 1.32 8.363450653e-01 1.34 6.652860123e-01 1.36 5.187380072e-01 1.38 3.904944096e-01 1.40 2.746482399e-01 1.42 1.688286406e-01 1.44 7.265261093e-02 1.46 -1.424074513e-02 1.48 -9.221232366e-02 1.50 -1.616230207e-01 1.52 -2.228248907e-01 1.54 -2.761346222e-01 1.56 -3.218600620e-01 1.58 -3.603149911e-01 1.60 -3.918825800e-01 1.62 -4.169909600e-01 1.64 -4.360690203e-01 1.66 -4.495456501e-01 1.68 -4.578497386e-01 1.70 -4.614101750e-01 1.72 -4.606558486e-01 1.74 -4.560152905e-01 1.76 -4.479029002e-01 1.78 -4.367145966e-01 1.80 -4.228450509e-01 1.82 -4.066889344e-01 1.84 -3.886408902e-01 1.86 -3.690815195e-01 1.88 -3.483547128e-01 1.90 -3.267984355e-01 1.92 -3.047526270e-01 1.94 -2.825751602e-01 1.96 -2.606334717e-01 1.98 -2.392950870e-01 2.00 -2.189275328e-01 2.02 -1.998288634e-01 2.04 -1.820192606e-01 2.06 -1.654494342e-01 2.08 -1.500700945e-01 2.10 -1.358319519e-01 2.12 -1.226857169e-01 2.14 -1.105821000e-01 2.16 -9.947181136e-02 2.18 -8.930556159e-02 2.20 -8.003406106e-02 2.22 -7.160802018e-02 2.24 -6.397814938e-02 2.26 -5.709515907e-02 2.28 -5.090975966e-02 2.30 -4.537266158e-02 2.32 -4.043457523e-02 2.34 -3.604621105e-02 2.36 -3.215827943e-02 2.38 -2.872149081e-02 2.40 -2.568655559e-02 2.42 -2.300418420e-02 2.44 -2.062508705e-02 2.46 -1.849997456e-02 2.48 -1.657955714e-02 2.50 -1.481454517e-02 2.52 -1.316418253e-02 2.54 -1.162184617e-02 2.56 -1.018944655e-02 2.58 -8.868894096e-03 2.60 -7.662098077e-03 2.62 -6.569291339e-03 2.64 -5.585669498e-03 2.66 -4.705485982e-03 2.68 -3.922994216e-03 2.70 -3.232447626e-03 2.72 -2.628099641e-03 2.74 -2.104203685e-03 2.76 -1.655013185e-03 2.78 -1.274781568e-03 2.80 -9.577622597e-04 2.82 -6.982086873e-04 2.84 -4.903742770e-04 2.86 -3.285124551e-04 2.88 -2.068766481e-04 2.90 -1.197202825e-04 2.92 -6.129678462e-05 2.94 -2.585958101e-05 2.96 -7.662098081e-06 2.98 -9.577622620e-07 3.00 1.735730781e-13 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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