INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.2041 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.2041 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 4 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 0.010911236359717216 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp2c62568f | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cI2_229_a-001: Body-Centered Cubic (W, $A2$, bcc) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.14 --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_cI2_229_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_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000009e+00 6.87423385e-07 2.98072723e-08] [ 1.00000076e+00 2.33781311e-07 -1.00000027e+00] [ 1.00000051e+00 -9.99999860e-01 -3.26502242e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [1.0, 0.0, -1.0], [1.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI2_229_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_cI2_229_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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp4lf90snk --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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpy8s4496e --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_cI2_229_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI2_229_a --params=3.1399998821236657 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp9ur0o8zc --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.