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 1.634434218334017 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:The following exception was caught during minimization: INFO:kim_tools.test_driver.core:RuntimeError('LineSearch failed!') INFO:kim_tools.test_driver.core:Minimization stalled after 25 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-2.93758073e-14 8.83806917e-14 -6.93805165e-15] [-5.22620142e-14 1.87471566e-14 8.11588737e-15] [-4.66272425e-03 -4.66272425e-03 -7.14706072e-15] [ 4.66272425e-03 4.66272425e-03 -9.59475555e-15] [ 4.66272425e-03 -4.66272425e-03 1.15680035e-14] [-4.66272425e-03 4.66272425e-03 6.35429209e-15] [-7.33328071e-03 2.20002382e-03 -8.54871729e-15] [ 7.33328071e-03 -2.20002382e-03 -4.10782519e-15] [-2.20002382e-03 -7.33328071e-03 4.44089210e-15] [ 2.20002382e-03 7.33328071e-03 5.11743425e-15] [ 7.33328071e-03 2.20002382e-03 -1.54390389e-15] [-7.33328071e-03 -2.20002382e-03 9.43502546e-15] [ 2.20002382e-03 -7.33328071e-03 1.97064587e-15] [-2.20002382e-03 7.33328071e-03 -1.32116540e-14] [ 5.87121260e-04 -2.34732716e-03 -5.67601521e-15] [-5.87121260e-04 2.34732716e-03 -2.72004641e-15] [ 2.34732716e-03 5.87121260e-04 6.56072419e-15] [-2.34732716e-03 -5.87121260e-04 6.27276009e-15] [-5.87121260e-04 -2.34732716e-03 2.01505479e-14] [ 5.87121260e-04 2.34732716e-03 -1.16302367e-15] [-2.34732716e-03 5.87121260e-04 -6.63358257e-15] [ 2.34732716e-03 -5.87121260e-04 -1.20737035e-14]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-6.38815248e-04 -6.38815248e-04 -5.17285407e-04 3.44606957e-17 -2.44096594e-17 2.16336589e-16] 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 0.003188337560091608 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpjbrjpfbq | 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=9.6325,0.51907604,0.59617501,0.51217589,0.87246198,0.74511795,0.037280934 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.81623 -4.81623 -2.50001] (Cartesian), [-0.49999603 -0.49999603 -0.50000506] (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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpxs_4shov --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmps2le1va2 --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=9.632536571369885,0.5190708995866712,0.4038289684961127,0.48782808001932243,0.12754199870599914,0.25488602262746207,0.9627230403623661 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_oy__usc --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.