INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646,2.0039128,1.7224921,0.10635238 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.2148398164274177 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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646,2.0039128,1.7224921,0.10635238 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 14 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 0.007759512252378419 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp1stmp7l3 | 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_oC4_63_c --params=2.7205,2.3454512,1.7858482,0.092502489 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.72049e+00 -4.19141e-06 -2.42920e+00] (Cartesian), [-0.99998611 -0.99998742 -0.50000161] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --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_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -4.09701874e-16 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_oC4_63_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.38,1.7635799,1.6884024,0.14768057 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.1385850317846117 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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.38,1.7635799,1.6884024,0.14768057 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 17 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 0.00775951218069286 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp5n9bf_j7 | 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_oC4_63_c --params=2.7205,2.3454512,1.7858482,0.09250247 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.72049e+00 4.08544e-06 -3.80557e-06] (Cartesian), [-9.99987325e-01 -9.99986044e-01 -7.83299420e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --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_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-5.61751448e-07 1.00000025e+00 0.00000000e+00] [ 9.99999469e-01 5.61751448e-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_oC4_63_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp9ubxu871 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.84537758e-18 0.00000000e+00] [-7.84537758e-18 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: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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpbzv09ksk --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.84537758e-18 0.00000000e+00] [-7.84537758e-18 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: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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.7205260139198706,2.345438569147584,1.7858253740153411,0.9074968536395559 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.720526224876625,2.345438114261737,1.7858253897331504,0.09250310989002941 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpevvz6vvu --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.84537758e-18 0.00000000e+00] [-7.84537758e-18 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.test_driver.core:Deduplicated 6 Property Instances down to 3.