INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.6664,0.45007688,0.60433614,0.93152738,0.2588458,0.87856864,0.53835909 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 5.125539569719345 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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.6664,0.45007688,0.60433614,0.93152738,0.2588458,0.87856864,0.53835909 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 20 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 0.003372857216568509 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpejlf64t9 | 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_tP22_136_af2i --params=10.0205,0.49464598,0.59922017,0.53854134,0.86353342,0.73202735,0.067734379 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01025 -5.01025 -2.4783 ] (Cartesian), [-0.50000005 -0.50000005 -0.49999949] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --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:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.0] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] 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_tP22_136_af2i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpcvfebndl --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpe1w5_cfe --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.02049896362005,0.4946465322661286,0.4007797826754842,0.13646652473730425,0.461458611191242,0.9322655688266974,0.26797260220942 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpf9wgxq2d --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.