INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=4.8232 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=4.8232 --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 0.005612310241546863 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpg1qnvn8k | 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_cF16_227_c --params=5.2525 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.31313e+00 -1.31313e+00 -6.07276e-06] (Cartesian), [-1.15617633e-06 -1.15617633e-06 -5.00005372e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_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=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 4.68763294e-17 -8.11967789e-17] [ 0.00000000e+00 -1.00000000e+00 1.40847826e-16] [ 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 A_cF16_227_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --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_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_zfn97d0 --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_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmptrob2vkw --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_cF16_227_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF16_227_c --params=5.252451417901621 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpi0ginq11 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.