INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.2547,2.0610619,0.59089948,0.18519352,0.16660457,0.18446938,0.41082374 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 3.2745355129152465 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_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.2547,2.0610619,0.59089948,0.18519352,0.16660457,0.18446938,0.41082374 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 19 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 0.004237260306335744 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpxwvags1t | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.6097,2.0805042,0.59426861,0.1810867,0.16867651,0.19166509,0.40854614 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.60969e+00 1.55375e-06 -5.83091e-06] (Cartesian), [-9.99993800e-01 -9.99993476e-01 -2.12855356e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --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=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.16410891e-17 0.00000000e+00] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 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_oC16_65_pq that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --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_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpdywcl0b3 --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_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmphcnqwud8 --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_oC16_65_pq --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.609719325513636,2.080505228586583,0.5942610589600624,0.18109305897399208,0.1686766695625103,0.6916714474684031,0.908546304401766 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp3q0l9n6y --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.