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=2.6513,0.93471127 --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=2.6513,0.93471127 --webpage INFO:kim_tools.test_driver.core:Minimization stopped after hitting the maximum of 200 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-6.93889390e-18 -5.89805982e-17 2.08166817e-17]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 2.33115788e-02 2.33115788e-02 1.94652352e-02 -0.00000000e+00 -0.00000000e+00 -5.09329907e-17] 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 0.010293783893460522 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpq5jh7kre | 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=2.5439,0.97189355 --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=2.5438827008416,0.971914106467025 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 3.00532565e-17 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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --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=2.5438827008416,0.971914106467025 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmplv1acrl0 --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=2.5438827008416,0.971914106467025 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpul8fj7a6 --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=2.5438827008416,0.971914106467025 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpv6uxhlnc --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.