INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=5.0168,1.3894714,0.30283022,0.23778777,0.11033928,0.18216985 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.8270505488301825 eV/angstrom. 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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=5.0168,1.3894714,0.30283022,0.23778777,0.11033928,0.18216985 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 15 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 0.0029195516859163405 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmptvt23382 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A2B_tP12_92_b_a-001: $\alpha$-Cristobalite (SiO$_{2}$, low, $C30$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9746,1.3488723,0.3102687,0.23620716,0.11688119,0.18415611 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.4873 -2.4873 -5.03256] (Cartesian), [-0.5000003 -0.5000003 -0.74999331] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a 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:Failed to solve equations for prototype A2B_tP12_92_b_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:Failed to solve equations for prototype A2B_tP12_92_b_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_tP12_92_b_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.25] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. -1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 A2B_tP12_92_b_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_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=5.1391,1.4015489,0.28644073,0.24374505,0.078395954,0.16640477 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.35586387041295975 eV/angstrom. 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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=5.1391,1.4015489,0.28644073,0.24374505,0.078395954,0.16640477 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 15 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 0.002919551520304499 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpnku8_nae | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A2B_tP12_92_b_a-001: $\alpha$-Cristobalite (SiO$_{2}$, low, $C30$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9746,1.3488723,0.31026867,0.23620717,0.11688114,0.18415606 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.4873 -2.4873 -5.03256] (Cartesian), [-0.50000027 -0.50000027 -0.74999319] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a 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:Failed to solve equations for prototype A2B_tP12_92_b_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:Failed to solve equations for prototype A2B_tP12_92_b_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_tP12_92_b_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.25] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [ 1. 0. 0.] [ 0. 0. -1.]] 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 A2B_tP12_92_b_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_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8aydg98d --no_scale_volume --screen_only --quiet --print=json 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: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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_b9k_ja1 --no_scale_volume --screen_only --quiet --print=json 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: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_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.974597025020769,1.3488810958434645,0.6897310045621154,0.7362068630884737,0.3831185156151875,0.06585058603984217 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_tP12_92_b_a --params=4.9745973600031075,1.3488812100615861,0.6897310602477884,0.7362069014894437,0.38311859882369137,0.06585074686524495 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpu1il6mw3 --no_scale_volume --screen_only --quiet --print=json 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.test_driver.core:Deduplicated 6 Property Instances down to 3.