INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 7.7540547848887575 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.10283751262892782 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 15 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 0.003823914215627103 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp8xw6yy9v | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.8975,1.0792445,0.9134048,0.16534748,0.8476439,0.67802395 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.35642e-05 4.09747e-06 -2.73156e-06] (Cartesian), [-3.54485755e-06 -1.99441766e-06 -6.10623956e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.32268249e-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_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 7.452210845759214 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.04335908396735365 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 13 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 0.003340258585031175 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp8m6pyx5q | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.8573,1.0869413,1.4085603,0.10846546,0.14176717,0.79597606 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.85729e+00 2.36397e-06 -6.84179e+00] (Cartesian), [-0.99999212 -0.99999122 -0.9999921 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.73519924e-18 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_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpbo70m7fa --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2v151r2k --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.897463828824793,1.0792439149946516,0.9134098045839479,0.8346519132421646,0.15235687578192414,0.321975441010272 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.857330454375525,1.0869389237849076,1.4085605460664017,0.10847335795482627,0.858233280638839,0.2040318370385672 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8m7tatu6 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 6 Property Instances down to 6.