INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=6.0491 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=6.0491 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 4 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 0.00589274112886391 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpjs_iucma | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry None: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.9002 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.47506 -1.47506 -1.47506] (Cartesian), [-0.50000708 -0.50000708 -0.50000708] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --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:Failed to solve equations for prototype A_cI12_220_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_cI12_220_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_cI12_220_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.0] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_cI12_220_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.33125055e-07 4.46472810e-16] [ 0.00000000e+00 -2.33125055e-07 9.99999767e-01] [ 0.00000000e+00 9.99999534e-01 2.33125055e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI12_220_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --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=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpc7m18zho --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=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpq6oneuke --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=A_cI12_220_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI12_220_a --params=5.900156462875598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmplmo9_35j --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.