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 18.793193235402427 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_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 19 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 0.0037694887221048265 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp0vojgfhn | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=5.1859,1.1610521,0.93517037,0.16441135,0.85301149,0.68052427 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.48610e-06 -1.38323e-06 -7.75805e-07] (Cartesian), [-1.21382347e-06 -1.67328535e-06 -1.59969767e-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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 2.13062542e-18 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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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 31.177588190881746 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_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 16 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 0.003343961994774232 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp36vij0ls | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=5.2602,1.1505266,1.2992472,0.11844527,0.13201572,0.80022227 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.26019e+00 -3.27413e-06 -9.40980e-06] (Cartesian), [-9.99991285e-01 -9.99992367e-01 -1.37685860e-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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 4.93929053e-18 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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpg6mbtobv --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpqgpl8rhi --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=5.1858800370534475,1.1610540666161713,0.9351735108026683,0.835588486691178,0.8530112564325447,0.31947556846767755 --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=5.26023299608599,1.150524680813752,1.2992300939629104,0.8815533538735401,0.1320151801427899,0.19977635329227583 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpo9q5twlr --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 6 Property Instances down to 6.