INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.4152,1.6357247,0.31830311,0.81966704,0.46519346,0.20236843,0.54218647,0.36473096,0.87644393,0.86132444,0.33059886,0.28059813,0.064561489 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.1881396692198773 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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.4152,1.6357247,0.31830311,0.81966704,0.46519346,0.20236843,0.54218647,0.36473096,0.87644393,0.86132444,0.33059886,0.28059813,0.064561489 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 24 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 0.001985675403516984 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpidjm_p5k | 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_hP68_194_ef2h2kl --params=10.3262,1.6419302,0.31799634,0.81918174,0.46640593,0.20294561,0.87634153,0.6390797,0.54255932,0.1355124,0.33033697,0.28023085,0.064484876 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.03262e+01 -1.68653e-08 -8.47745e+00] (Cartesian), [-0.99999958 -0.99999958 -0.50000018] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --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_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -8.05227218e-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_hP68_194_ef2h2kl that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpyh8mdw7l --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpwl5mqrj2 --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.32620431957027,1.6419289416331848,0.6820034705492057,0.18081807645762593,0.5335943231491925,0.7970546399078354,0.8763417804059227,0.3609201140462255,0.5425595722244838,0.864487415559617,0.33033739126483197,0.280231268311526,0.9355149394190958 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp85y6glnu --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.