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 0.01905691187377129 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 11 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 0.005591846530360509 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpsaq_80j1 | 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=2.5008,1.2709133 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.67471e-06 2.12160e-06 -0.00000e+00] (Cartesian), [-1.95923110e-06 -9.79613751e-07 -2.34379825e-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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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=2.5007853011566588,1.270930363603446 --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 0.010220545268334812 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 7 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 0.005591846542825563 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpu0xu9x8w | 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=2.5008,1.2709133 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.67463e-06 -2.12155e-06 -0.00000e+00] (Cartesian), [-9.79593304e-07 -1.95918756e-06 -2.28673448e-26] (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=2.5007853014764376,1.2709303551041704 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 9.99999767e-01 -9.99999534e-01 0.00000000e+00] [ 9.99999534e-01 2.33125055e-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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853014764376,1.2709303551041704 --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=2.5007853011566588,1.270930363603446 --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=2.5007853014764376,1.2709303551041704 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpk7usfzco --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125057e-07 9.99999534e-01 0.00000000e+00] [-9.99999534e-01 9.99999767e-01 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, 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=2.5007853011566588,1.270930363603446 --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=2.5007853014764376,1.2709303551041704 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpe_1vpdj6 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125057e-07 9.99999534e-01 0.00000000e+00] [-9.99999534e-01 9.99999767e-01 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, 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=2.5007853011566588,1.270930363603446 --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=2.5007853014764376,1.2709303551041704 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpnfj09zh6 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125057e-07 9.99999534e-01 0.00000000e+00] [-9.99999534e-01 9.99999767e-01 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, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.test_driver.core:Deduplicated 6 Property Instances down to 3.