INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.9831,0.6320956 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.9831,0.6320956 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 8 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 0.006539611261456709 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpgvd3vxap | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry AB2_hP3_191_a_c-001: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.6652,0.79455419 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.48862e-06 -7.40149e-16 -0.00000e+00] (Cartesian), [-1.49750209e-06 -1.49750209e-06 4.31605889e-34] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_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:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.99999767e-01 2.33125055e-07 0.00000000e+00] [-9.99999534e-01 9.99999767e-01 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], [-1.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB2_hP3_191_a_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --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=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8fe9nilf --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=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprovkn45g --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=AB2_hP3_191_a_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_hP3_191_a_c --params=3.665183534130667,0.7945691281114444 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpr8wid_2r --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.