INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=14.7362,0.76473335,0.31636148,0.12789779 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 4.274249804680099 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_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=14.7362,0.76473335,0.31636148,0.12789779 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 19 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 0.0021842637668748606 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpayenmcju | 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_cF136_227_aeg --params=16.0851,0.75857289,0.036440034,0.88056237 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ -4.02128 -8.04255 -12.0638 ] (Cartesian), [-9.99997898e-01 -4.99998638e-01 -1.86507966e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --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_cF136_227_aeg 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:Failed to solve equations for prototype A_cF136_227_aeg 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_cF136_227_aeg 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_cF136_227_aeg on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125054e-07 9.99999534e-01 -2.33125054e-07] [-9.99999534e-01 -9.99999767e-01 -9.99999767e-01] [ 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, -1.0, -1.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cF136_227_aeg that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --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_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpwtnmice3 --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_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpye2knj7e --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_cF136_227_aeg --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF136_227_aeg --params=16.085103803664754,0.7585734245085267,0.5364399669937876,0.8805640969954107 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpsweuj_hg --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.