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 2.8689210885091025 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 40 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 0.0034590108600605638 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpv6ii1tk5 | 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=10.0441,1.4133571,0.48555869,0.03113201,0.22982751,0.59288165,0.0006337167,0.77578953,0.14132127,0.36887482,0.2865374,0.74172774,0.95035093 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00441e+01 3.97489e-09 -1.08052e-05] (Cartesian), [-9.99995865e-01 -9.99995865e-01 -2.21555869e-06] (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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 5.68937981e-17 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_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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpxjg6q3uv --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp4g5i36q8 --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=10.044141532234407,1.4133536958884212,0.4855530963229033,0.03113201050458092,0.22982751440114713,0.40711835516453965,0.9993640677393993,0.7757936679283526,0.1413212697256849,0.3688789523382303,0.2865373986265783,0.7417318711935224,0.9503509298370668 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpeoku7xo1 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.