INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.4432,0.87731083,0.50173313,0.71933153,0.77797272 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.5118670740646293 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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.4432,0.87731083,0.50173313,0.71933153,0.77797272 --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:Automatically set max fractional residual for solving position equations to 0.005276404788471807 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpafnbwt5t | 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=A3B5_oC16_65_ah_bej --params=8.2265,0.66584817,0.50253449,0.72412426,0.78032177 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94195e-07 -1.82441e-15 -4.13410e+00] (Cartesian), [-4.79177102e-08 -4.79177109e-08 -9.99995894e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --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=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -4.98683909e-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 A3B5_oC16_65_ah_bej that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpxevvm8x6 --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp39eieswx --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=8.226499044166575,0.6658453586288647,0.5025366141848008,0.2758756914121945,0.7803217685227397 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpzqvnqd8a --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.