# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = Al2H # 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 2.00 -2.040361937e+00 2.02 -2.132817291e+00 2.04 -2.213697946e+00 2.06 -2.283913525e+00 2.08 -2.344346891e+00 2.10 -2.395812278e+00 2.12 -2.438691948e+00 2.14 -2.474164303e+00 2.16 -2.502626491e+00 2.18 -2.524449454e+00 2.20 -2.539972298e+00 2.22 -2.549496176e+00 2.24 -2.553278519e+00 2.26 -2.551528302e+00 2.28 -2.544403752e+00 2.30 -2.532014560e+00 2.32 -2.514429394e+00 2.34 -2.491691037e+00 2.36 -2.463839677e+00 2.38 -2.430944213e+00 2.40 -2.393139994e+00 2.42 -2.350670026e+00 2.44 -2.303924547e+00 2.46 -2.253472976e+00 2.48 -2.200081273e+00 2.50 -2.144707955e+00 2.52 -2.088472394e+00 2.54 -2.032590090e+00 2.56 -1.978270690e+00 2.58 -1.926435444e+00 2.60 -1.877964779e+00 2.62 -1.833479103e+00 2.64 -1.792793686e+00 2.66 -1.755265248e+00 2.68 -1.719897803e+00 2.70 -1.685539904e+00 2.72 -1.651116059e+00 2.74 -1.615814678e+00 2.76 -1.579171069e+00 2.78 -1.541032773e+00 2.80 -1.501294044e+00 2.82 -1.460224893e+00 2.84 -1.418088272e+00 2.86 -1.374902010e+00 2.88 -1.330688615e+00 2.90 -1.285476247e+00 2.92 -1.239299727e+00 2.94 -1.192201664e+00 2.96 -1.144233657e+00 2.98 -1.095457532e+00 3.00 -1.045946632e+00 3.02 -9.957870725e-01 3.04 -9.450789813e-01 3.06 -8.939376401e-01 3.08 -8.424944526e-01 3.10 -7.908976865e-01 3.12 -7.393129085e-01 3.14 -6.879230142e-01 3.16 -6.369277136e-01 3.18 -5.865424666e-01 3.20 -5.369966547e-01 3.22 -4.885309975e-01 3.24 -4.413940810e-01 3.26 -3.958379993e-01 3.28 -3.521131061e-01 3.30 -3.104619338e-01 3.32 -2.711124125e-01 3.34 -2.342706042e-01 3.36 -2.001132206e-01 3.38 -1.687802848e-01 3.40 -1.403683476e-01 3.42 -1.149246820e-01 3.44 -9.244286844e-02 3.46 -7.286008178e-02 3.48 -5.605627185e-02 3.50 -4.185539491e-02 3.52 -3.002963573e-02 3.54 -2.031211417e-02 3.56 -1.244180112e-02 3.58 -6.304969020e-03 3.60 -2.148535556e-03 3.62 1.763631674e-04 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