INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.9056,0.27794558,1.0489443,154.3362,0.18156111,0.12588526,0.90562063,0.34640648,0.15579867,0.9429254,0.14139464,0.41433526 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.6809731061670455 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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.9056,0.27794558,1.0489443,154.3362,0.18156111,0.12588526,0.90562063,0.34640648,0.15579867,0.9429254,0.14139464,0.41433526 --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 0.0042204784187313184 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp7tpincu2 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_mC16_12_4i-001: M-carbon Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.8618,0.27939373,0.4613903,83.599,0.94445733,0.87108278,0.44232866,0.65453455,0.78716393,0.059681511,0.27572147,0.58039165 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.34597e-01 6.21725e-15 -6.35336e+00] (Cartesian), [-0.99999489 -0.99999489 -0.99999493] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --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_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.71761011e-17 2.27928699e-16] [ 6.30896305e-17 1.00000000e+00 1.20113811e-17] [ 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_mC16_12_4i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp6qyvsljk --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpcrescigh --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=13.861791416031833,0.2793922227395829,1.0535673932772343,154.2017908958347,0.1844649925464137,0.12892228652272308,0.9031418920181553,0.3454705156897959,0.15315966703841166,0.940323557932788,0.1438919827712548,0.41961341782615813 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_drc8ooc --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.