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 0.9278623155509995 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 33 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 0.0034917437003581576 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp6wwd_0ot | 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=10.2485,1.2973118,0.51122603,0.00095494053,0.21408392,0.60629754,0.013620434,0.76558732,0.1409948,0.37350855,0.29717513,0.71306479,0.95190901 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.08684e-05 5.44869e-08 -2.61966e+00] (Cartesian), [-1.06458747e-06 -1.05639115e-06 -5.00005804e-01] (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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 5.21813918e-07 -9.99999795e-01 0.00000000e+00] [-9.99999529e-01 -5.21813918e-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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp84yf7zgf --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmppsuqqv97 --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=10.24847674044528,1.2973101887339675,0.511223210353396,0.9990450635726839,0.785916081999298,0.39370246149770005,0.013614629463671868,0.23441162317030573,0.8590052081032831,0.626490394283435,0.7028248692831364,0.2869341542760704,0.04809099279543262 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpx41p51q9 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.