INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4677,1.6162824 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.022261348492279818 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4677,1.6162824 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 9 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 0.005455641219664459 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpgv322ll0 | 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_hP2_191_c --params=2.4584,1.3685324 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.45840e+00 -2.12927e-06 -0.00000e+00] (Cartesian), [-9.99993499e-01 -9.99994499e-01 -1.06306715e-24] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --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_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.99999767e-01 9.99999534e-01 0.00000000e+00] [-9.99999534e-01 -2.33125054e-07 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, 1.0, 0.0], [-1.0, 0.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_hP2_191_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4647,1.3417049 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.019294590071558707 eV/angstrom^3 even though the nominal state of the system is unstressed. 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_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4647,1.3417049 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 6 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 0.005455641520816902 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp53t8v58h | 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_hP2_191_c --params=2.4584,1.3685324 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.4584e+00 -2.1330e-06 -0.0000e+00] (Cartesian), [-9.99993488e-01 -9.99994490e-01 1.27866867e-25] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --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_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125054e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125054e-07 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: [[0.0, 1.0, 0.0], [1.0, 0.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_hP2_191_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --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_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp4yt27e8w --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.25992228e-18 0.00000000e+00] [-3.25992228e-18 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: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_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp7infz4p4 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.25992228e-18 0.00000000e+00] [-3.25992228e-18 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: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_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.458414752030659,1.3685166330524394 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_191_c --params=2.4584147778419343,1.3685164064253206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprsfh57oj --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.25992228e-18 0.00000000e+00] [-3.25992228e-18 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.test_driver.core:Deduplicated 6 Property Instances down to 3.