INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.5818188807318083 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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 57 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 0.003555508178121621 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpyjdji2_4 | 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_oC40_63_2cf3g --params=6.5813,2.337365,0.65461231,0.91238762,0.21233009,0.65705114,0.0016224494,0.79688779,0.095644677,0.31475003,0.28151895,0.17192642,0.45772622 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.58128e+00 -1.45498e-07 -2.15409e+00] (Cartesian), [-0.99999166 -0.99999168 -0.49999276] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --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_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 7.53407458e-07 -1.00000054e+00 0.00000000e+00] [-9.99999497e-01 -7.53407458e-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_oC40_63_2cf3g that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmptn5yfyha --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpcuwr5yls --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_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=6.5813348031245775,2.337352641845052,0.6546152853157281,0.08761237337749861,0.7876699024255147,0.6570511270669135,0.9983847878494045,0.20312053612474967,0.9043553130661898,0.6852582966173606,0.7184810412035707,0.3280819047752641,0.04227377529791089 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpq7zr7fau --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.