INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=5.6016 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=5.6016 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 5 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 0.006873648184993009 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmprs_x9eev | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry AB3_cF16_225_a_bc-001: BiF$_{3}$ ($D0_{3}$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.1293 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.32945e-06 -8.32945e-06 -8.32945e-06] (Cartesian), [-1.35896109e-06 -1.35896109e-06 -1.35896109e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --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=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000009e+00 4.99343743e-07 -2.98072723e-08] [ 3.26502242e-07 9.99999999e-01 -4.54298331e-07] [-1.00000051e+00 -1.00000076e+00 -1.00000009e+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], [-1.0, -1.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB3_cF16_225_a_bc that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --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=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpy3es32hv --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=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpru3xhp2u --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=AB3_cF16_225_a_bc --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB3_cF16_225_a_bc --params=6.129277788122809 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8jzrzqqt --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.