INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7854,2.9018453,1.1948374,0.13408348 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 5.033247913962939 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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7854,2.9018453,1.1948374,0.13408348 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 13 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 0.008326789578386238 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmppzr3a_gu | 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_oC4_63_c --params=2.7242,2.7609941,1.2499082,0.14107907 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.15949e-06 3.96722e-06 -5.81495e-06] (Cartesian), [-1.32016185e-06 -2.65255408e-07 -1.70777970e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 5.31019808e-07 -1.00000035e+00 0.00000000e+00] [-9.99999536e-01 -5.31019808e-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_oC4_63_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_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_obhbbbh --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpoqhkzo8y --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.724191362043481,2.760989305819464,1.2499036250172366,0.14107959392944713 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpvbj07hvq --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.