INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.6342 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.6342 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 1 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:Attempting to find NN distance by searching within covalent radii times 2 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.011224620483093731 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpkrz06f0h | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cF4_225_a-001: Face-Centered Cubic (Cu, $A1$, fcc) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.7662 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [0 0 0] (Cartesian), [0. 0. 0.] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --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_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.33771880e-08 1.72841501e-07 1.00000048e+00] [-3.26502242e-07 9.99999673e-01 -7.80800573e-07] [ 1.00000051e+00 -2.51649558e-07 4.20535687e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, 1.0, 0.0], [1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cF4_225_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprgwxyf0j --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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp15rcd54i --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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=6.766196929050694 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpdw06k8wj --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.