INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.058 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.058 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 2 steps. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 2 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.007937005259840991 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp7bh66pa6 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry AB_cF8_225_a_b-001: Rock Salt/Halite (NaCl, $B1$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.0881 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.39249e-06 -2.39249e-06 -2.39249e-06] (Cartesian), [-5.85234119e-07 -5.85234119e-07 -5.85234119e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 3.39297229e-17 1.32867718e-16] [ 0.00000000e+00 -1.00000000e+00 4.63280783e-17] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB_cF8_225_a_b that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpmbyosini --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmph5o0gdln --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_cF8_225_a_b --params=4.088090430026352 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpglwnomxy --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.