INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 2.1622033248688957 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.06747894053683964 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 12 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 0.003446697205005194 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmphhd4ajv7 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.8588,1.1276653,0.87556598,0.15556121,0.85210924,0.68718648 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.85879e+00 2.29014e-06 -1.08479e-05] (Cartesian), [-9.99991003e-01 -9.99990167e-01 -2.54994788e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-4.63418672e-07 -1.00000029e+00 0.00000000e+00] [-1.00000040e+00 4.63418672e-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_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 5.464078935410647 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.17293581607079261 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 21 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 0.0035931155592059485 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp47857gi9 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.7736,1.1104827,1.0643539,0.14308504,0.13576437,0.75186912 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.77358e+00 -8.77862e-07 -3.71239e-06] (Cartesian), [-9.99986792e-01 -9.99987123e-01 -7.30672540e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 3.44063138e-19 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_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpfeu124ln --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpsft6fzko --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.858835748144998,1.1276617090896424,0.87555241786244,0.15555866077051617,0.852109653913546,0.3128109670333936 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.773642258599189,1.1104744168430263,1.064341358756,0.8569142294629819,0.13576420118574306,0.2481301475666149 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpw7pvm9_m --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 6 Property Instances down to 6.