INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.582,1.5943455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.582,1.5943455 --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: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 0.008908058681922643 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp67rbnljd | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_hP2_194_c-001: Hexagonal Close Packed (Mg, $A3$, hcp) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.4939,1.6334657 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.44971e-06 5.45580e-06 -2.03684e+00] (Cartesian), [-5.05225092e-06 -2.52612289e-06 -4.99993435e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_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:Failed to solve equations for prototype A_hP2_194_c on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --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_194_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_194_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_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_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_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_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_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --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_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpahgn83kl --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_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp5yvyxxrh --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_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.493862201142891,1.633503842600253 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpo19fs008 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.