INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.4678,13.950077,0.86916696,0.13083843 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.0009906648663942775 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_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.4678,13.950077,0.86916696,0.13083843 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 4 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 0.00255853168471366 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpe3qoc0rg | 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=A_hP12_194_bc2f --params=2.5946,13.268327,0.86917362,0.13084509 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.5946e+00 -4.5881e-07 -1.7213e+01] (Cartesian), [-0.99999745 -0.99999765 -0.5 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --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_hP12_194_bc2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125055e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125055e-07 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: [[0.0, 1.0, 0.0], [1.0, 0.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_hP12_194_bc2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --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_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp7_b11j8t --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_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpzef3x_38 --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_hP12_194_bc2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP12_194_bc2f --params=2.5946063574627556,13.268294038979606,0.8691736258070839,0.13084509580708392 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpl55l63k1 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.