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 4.76020603567168 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 0.17592865239338357 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_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 15 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 0.00405336126700974 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpob7u97hm | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_pq --params=4.2586,2.1053867,0.57835909,0.17708068,0.15798538,0.19384578,0.40527386 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.54239e-06 -8.75356e-07 -5.99346e-06] (Cartesian), [-9.69011634e-07 -1.16427216e-06 -2.43342196e-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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 -1.5599866e-16 0.0000000e+00] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp5edvdbee --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpq50me3wi --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=4.258589508658378,2.1053992503562773,0.5783548853057793,0.17707961631665037,0.8420145258675226,0.6938447155888985,0.09472604649567598 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpww0d_3zv --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.