INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.7882,0.41797522 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 4.9714811525078275 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.06353551879766169 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=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.7882,0.41797522 --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: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 0.0035831859856911975 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp2i1u5gs6 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry AB2_cP12_205_a_c-001: Pyrite (FeS$_{2}$, $C2$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.6534,0.39656233 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.32671e+00 -2.32671e+00 -1.16843e-05] (Cartesian), [-5.00005162e-01 -5.00005162e-01 -2.51093188e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_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:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.0, 0.0] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B_cP12_205_c_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 1. 0.] [ 0. 0. -1.]] 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 A2B_cP12_205_c_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --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=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpzfga98rh --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=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpvq089xz3 --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=A2B_cP12_205_c_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cP12_205_c_a --params=4.653371957643149,0.39655805195193206 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpfzerjl6h --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.