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 0.36559446206911256 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.3543036717423337 eV/angstrom^3 even though the nominal state of the system is unstressed. 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 7 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:Automatically set max fractional residual for solving position equations to 0.004100700556365966 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp8pz1oz37 | 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=4.3092,0.15604409 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.15459e+00 7.48260e-06 -2.15459e+00] (Cartesian), [-0.49999038 -0.99998423 -0.49999038] (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=4.309247940121057,0.40603620715167676 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 3.18631854e-07 9.99999743e-01 -3.10530897e-08] [ 9.99999956e-01 -3.18631854e-07 1.81368146e-07] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] 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=4.309247940121057,0.6560499243868811 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.26748865e-17 3.69614604e-17] [ 0.00000000e+00 1.00000000e+00 1.05131291e-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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --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=4.309247940121057,0.6560499243868811 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpv5j2iy6e --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=4.309247940121057,0.6560499243868811 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp7fn1rq_e --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=4.309247940121057,0.6560499243868811 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmptud1v9by --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.