INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.4773,0.15607601 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 5.919071713216737 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.4773,0.15607601 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 9 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 0.0043145451629353635 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp4l1n8q0a | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cI16_206_c-001: BC8 (Si) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634,0.15114445 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.38169e+00 9.71654e-06 -2.38169e+00] (Cartesian), [-0.49999131 -0.9999867 -0.49999131] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --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_cI16_206_c 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_cI16_206_c --params=4.7634433304516675,0.40113780068945726 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.33125055e-07 3.29841738e-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:No matching rotation found INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_206_c, but it was rotated relative to the original cell 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:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 4.03734145e-17 1.88116877e-16] [0.00000000e+00 1.00000000e+00 4.20261308e-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 A_cI16_206_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp3vlkygcf --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpgjn_cbn7 --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=4.7634433304516675,0.6511495598769129 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpoesp03ei --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.