INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.4152,1.6357247,0.31830311,0.81966704,0.46519346,0.20236843,0.54218647,0.36473096,0.87644393,0.86132444,0.33059886,0.28059813,0.064561489 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.6947343758699527 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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.4152,1.6357247,0.31830311,0.81966704,0.46519346,0.20236843,0.54218647,0.36473096,0.87644393,0.86132444,0.33059886,0.28059813,0.064561489 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 39 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 0.001919322723273889 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpgzs91bpl | 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_hP68_194_ef2h2kl --params=10.4739,1.5473128,0.34331083,0.81917827,0.44139303,0.20072558,0.87832427,0.63969742,0.55565318,0.12107285,0.33037986,0.32419958,0.068340196 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.25444e-05 -2.10264e-06 -1.99370e-06] (Cartesian), [-2.03654173e-06 -2.26834939e-06 -1.23019339e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --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_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.91999546e-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_hP68_194_ef2h2kl that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmph0qwr_oc --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpozno8fgw --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_hP68_194_ef2h2kl --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP68_194_ef2h2kl --params=10.473853751153712,1.5473191943263955,0.34331071109295386,0.8191781470464461,0.4413917138125608,0.2007242660416917,0.8783229575654217,0.6396972924210453,0.5556518651225157,0.12107272706346195,0.33037782682024064,0.006178011327454991,0.06834007338657688 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpqhzk49ni --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.