INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.657,0.10135586 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.012983336467471684 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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.657,0.10135586 --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: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 0.004435024578455842 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpb86y4nx0 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cI16_206_c-001: BC8 (Si) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6169,0.101616 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.64071e-06 -3.30845e+00 -4.18413e-06] (Cartesian), [-5.00002008e-01 -1.03142843e-06 -5.00001774e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_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:Failed to solve equations for prototype A_cI16_206_c on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.6483845202338726 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.33125055e-07 -3.03962280e-16] [ 0.00000000e+00 2.33125055e-07 -9.99999767e-01] [ 0.00000000e+00 -9.99999534e-01 -2.33125055e-07]] INFO:kim_tools.symmetry_util.core:No matching rotation found INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_206_c, but it was rotated relative to the original cell INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.0, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 8.26734624e-17 3.04039653e-17] [ 0.00000000e+00 -1.00000000e+00 4.92456155e-17] [ 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_cI16_206_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_cI16_206_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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1oitq55k --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp5yjn7i93 --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_cI16_206_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_206_c --params=6.6168818004180805,0.8983832022973316 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpuc92zya7 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.