INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.7779,0.90949998 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.7779,0.90949998 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 5 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 0.010118951760555788 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpxvv20l02 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_hP1_191_a-001: Simple Hexagonal (HgSn$_{6-10}$ $A_{f}$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849,0.94726061 --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_hP1_191_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_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -9.35378702e-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_hP1_191_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_hP1_191_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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpgi5hwm16 --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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpfkb25v4m --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_hP1_191_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP1_191_a --params=2.6849298965566812,0.9472587031474891 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpzy1l0edk --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.