INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.1408755227936571 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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 40 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 0.0034425223110168533 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpvoblkbb3 | 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_oC40_63_2cf3g --params=9.3532,1.2906278,0.51401659,0.99819778,0.21869018,0.60431128,0.01819767,0.77084254,0.13902639,0.37370484,0.29697505,0.7158307,0.94863584 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.35318e+00 -6.24481e-08 -4.80769e+00] (Cartesian), [-0.99999301 -0.99999302 -0.99999008] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --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_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 4.86630199e-17 0.00000000e+00] [0.00000000e+00 1.00000000e+00 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], [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_oC40_63_2cf3g that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_0g6d3fb --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpba8eefci --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=9.353245331492031,1.290624656729448,0.514018131579562,0.9981977724427701,0.2186901715342925,0.6043112726559697,0.018207589754531295,0.22916444848698458,0.139026383879881,0.6263021419887618,0.29697504857773965,0.2841762856113168,0.948635833884839 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp47zlassd --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.