# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Cai-J-Ye-Y-Y--Al-Cu # implementation = EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 # composition = AlCu2 # 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 2024-11-27 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 1.553001806e+02 1.14 1.427480044e+02 1.16 1.312241797e+02 1.18 1.206448831e+02 1.20 1.109143720e+02 1.22 1.019696455e+02 1.24 9.373409293e+01 1.26 8.615121139e+01 1.28 7.917424986e+01 1.30 7.273700447e+01 1.32 6.680188874e+01 1.34 6.133449476e+01 1.36 5.628372102e+01 1.38 5.162356887e+01 1.40 4.732076217e+01 1.42 4.335087727e+01 1.44 3.968106948e+01 1.46 3.629129690e+01 1.48 3.315932591e+01 1.50 3.026528362e+01 1.52 2.759771241e+01 1.54 2.512477948e+01 1.56 2.284040655e+01 1.58 2.072765165e+01 1.60 1.877489398e+01 1.62 1.697039053e+01 1.64 1.530675065e+01 1.66 1.376461129e+01 1.68 1.233993578e+01 1.70 1.102354717e+01 1.72 9.807664917e+00 1.74 8.684869967e+00 1.76 7.648643709e+00 1.78 6.694255836e+00 1.80 5.811302713e+00 1.82 4.997048872e+00 1.84 4.247126971e+00 1.86 3.555514439e+00 1.88 2.918679821e+00 1.90 2.332647030e+00 1.92 1.793733206e+00 1.94 1.298961551e+00 1.96 8.492817464e-01 1.98 4.315521843e-01 2.00 4.879817052e-02 2.02 -3.015134369e-01 2.04 -6.217326920e-01 2.06 -9.137250640e-01 2.08 -1.180189779e+00 2.10 -1.422639631e+00 2.12 -1.642820272e+00 2.14 -1.842353090e+00 2.16 -2.022744319e+00 2.18 -2.185392869e+00 2.20 -2.331598458e+00 2.22 -2.462570425e+00 2.24 -2.576215948e+00 2.26 -2.680359128e+00 2.28 -2.772368141e+00 2.30 -2.853150198e+00 2.32 -2.923547605e+00 2.34 -2.984345641e+00 2.36 -3.036267871e+00 2.38 -3.079368725e+00 2.40 -3.115607765e+00 2.42 -3.144872081e+00 2.44 -3.167693277e+00 2.46 -3.184565045e+00 2.48 -3.196000852e+00 2.50 -3.202418100e+00 2.52 -3.204181259e+00 2.54 -3.201725777e+00 2.56 -3.195448317e+00 2.58 -3.185574574e+00 2.60 -3.171989432e+00 2.62 -3.155860816e+00 2.64 -3.137172586e+00 2.66 -3.112874916e+00 2.68 -3.087690369e+00 2.70 -3.058436257e+00 2.72 -3.027252706e+00 2.74 -2.996213749e+00 2.76 -2.966798230e+00 2.78 -2.940061118e+00 2.80 -2.917642593e+00 2.82 -2.898473671e+00 2.84 -2.881868111e+00 2.86 -2.866143516e+00 2.88 -2.848063221e+00 2.90 -2.825213031e+00 2.92 -2.796557949e+00 2.94 -2.761077657e+00 2.96 -2.718420151e+00 2.98 -2.668579219e+00 3.00 -2.611800629e+00 3.02 -2.548398087e+00 3.04 -2.479005147e+00 3.06 -2.404753176e+00 3.08 -2.326651494e+00 3.10 -2.245392105e+00 3.12 -2.161929991e+00 3.14 -2.077506909e+00 3.16 -1.993108286e+00 3.18 -1.909506957e+00 3.20 -1.827301312e+00 3.22 -1.746946989e+00 3.24 -1.668783169e+00 3.26 -1.593054383e+00 3.28 -1.519928560e+00 3.30 -1.449511958e+00 3.32 -1.381861490e+00 3.34 -1.316994880e+00 3.36 -1.254763856e+00 3.38 -1.195414370e+00 3.40 -1.138741938e+00 3.42 -1.084677430e+00 3.44 -1.033141642e+00 3.46 -9.840483160e-01 3.48 -9.373065634e-01 3.50 -8.898808134e-01 3.52 -8.477788520e-01 3.54 -8.077294268e-01 3.56 -7.696400581e-01 3.58 -7.334199465e-01 3.60 -6.989805215e-01 3.62 -6.662358465e-01 3.64 -6.351029053e-01 3.66 -6.055017951e-01 3.68 -5.773558417e-01 3.70 -5.505916567e-01 3.72 -5.251391452e-01 3.74 -5.009314777e-01 3.76 -4.779050330e-01 3.78 -4.559993195e-01 3.80 -4.351568813e-01 3.82 -4.153231922e-01 3.84 -3.964465430e-01 3.86 -3.784779238e-01 3.88 -3.613709040e-01 3.90 -3.450815122e-01 3.92 -3.295681171e-01 3.94 -3.147913102e-01 3.96 -3.007137921e-01 3.98 -2.873002616e-01 4.00 -2.745173097e-01 4.02 -2.623333171e-01 4.04 -2.507183565e-01 4.06 -2.396440997e-01 4.08 -2.290837285e-01 4.10 -2.184071230e-01 4.12 -2.088463241e-01 4.14 -1.997235863e-01 4.16 -1.910176164e-01 4.18 -1.827082311e-01 4.20 -1.747762952e-01 4.22 -1.672036636e-01 4.24 -1.599731262e-01 4.26 -1.530683560e-01 4.28 -1.464738607e-01 4.30 -1.401749361e-01 4.32 -1.341576236e-01 4.34 -1.284086688e-01 4.36 -1.229154835e-01 4.38 -1.176661096e-01 4.40 -1.126491846e-01 4.42 -1.078539102e-01 4.44 -1.032700215e-01 4.46 -9.888775913e-02 4.48 -9.469784190e-02 4.50 -9.069144194e-02 4.52 -8.686016073e-02 4.54 -8.319600665e-02 4.56 -7.969137384e-02 4.58 -7.633902215e-02 4.60 -7.313205836e-02 4.62 -7.006391832e-02 4.64 -6.712835017e-02 4.66 -6.431939842e-02 4.68 -6.163138901e-02 4.70 -5.905891506e-02 4.72 -5.659682351e-02 4.74 -5.424020242e-02 4.76 -5.198436897e-02 4.78 -4.982485810e-02 4.80 -4.775741180e-02 4.82 -4.577796890e-02 4.84 -4.388265544e-02 4.86 -4.206777556e-02 4.88 -4.032980281e-02 4.90 -3.866537199e-02 4.92 -3.707127136e-02 4.94 -3.554443523e-02 4.96 -3.408193704e-02 4.98 -3.268098263e-02 5.00 -3.133890401e-02 5.02 -3.005315336e-02 5.04 -2.882129733e-02 5.06 -2.764101165e-02 5.08 -2.651007603e-02 5.10 -2.542636928e-02 5.12 -2.438786466e-02 5.14 -2.339262551e-02 5.16 -2.243880105e-02 5.18 -2.152462242e-02 5.20 -2.064839886e-02 5.22 -1.980851416e-02 5.24 -1.900342321e-02 5.26 -1.823164873e-02 5.28 -1.749177821e-02 5.30 -1.678246090e-02 5.32 -1.610240504e-02 5.34 -1.545037519e-02 5.36 -1.482518965e-02 5.38 -1.422571803e-02 5.40 -1.365087898e-02 5.42 -1.309963795e-02 5.44 -1.257100507e-02 5.46 -1.206403322e-02 5.48 -1.157781603e-02 5.50 -1.111148615e-02 5.52 -1.066421343e-02 5.54 -1.023520334e-02 5.56 -9.823695341e-03 5.58 -9.428961411e-03 5.60 -9.050304590e-03 5.62 -8.687057620e-03 5.64 -8.338581637e-03 5.66 -8.004264923e-03 5.68 -7.683521715e-03 5.70 -7.375791074e-03 5.72 -7.080535794e-03 5.74 -6.797241371e-03 5.76 -6.525415016e-03 5.78 -6.264584706e-03 5.80 -5.908495028e-03 5.82 -5.674223007e-03 5.84 -5.449317621e-03 5.86 -5.233399655e-03 5.88 -5.026105523e-03 5.90 -4.827086604e-03 5.92 -4.636008617e-03 5.94 -4.452551013e-03 5.96 -4.276406398e-03 5.98 -4.107279985e-03 6.00 -3.944889060e-03