INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.481,2.5961306,1.8476421,0.88747,0.22046,0.92442,0.5479,0.73734,0.67879 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 5.924694139258925 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=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.481,2.5961306,1.8476421,0.88747,0.22046,0.92442,0.5479,0.73734,0.67879 --webpage INFO:kim_tools.test_driver.core:Minimization stopped after hitting the maximum of 200 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 3.49209312e-14 -1.16157956e-03 1.47283340e-03] [-3.95649995e-15 1.16157956e-03 1.47283340e-03] [ 1.28600829e-15 2.77404530e-03 3.21768661e-04] [ 2.25740094e-15 -2.77404530e-03 3.21768661e-04] [-4.76263980e-16 -5.27999547e-04 -1.79460206e-03] [-4.28698523e-14 5.27999546e-04 -1.79460206e-03]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 1.61794332e-04 1.52007359e-04 2.92080385e-04 -4.83012928e-15 -5.75364351e-16 9.57891605e-17] 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 0.004252472596378464 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpy74d8slm | 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=AB2_oC12_36_a_2a --params=2.6305,2.4379396,1.8450105,0.88844165,0.225434,0.92424756,0.53858913,0.72359271,0.68312687 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.26881e-06 4.81679e-06 -2.42664e+00] (Cartesian), [-4.27472409e-06 -2.77252046e-06 -4.99994920e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --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=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 2.0579692e-16 0.0000000e+00] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+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:Found set of parameters for prototype AB2_oC12_36_a_2a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --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=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpz5kkx0et --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=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmps1yhvfwv --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=AB2_oC12_36_a_2a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB2_oC12_36_a_2a --params=2.6304777548475973,2.4379470449077045,1.845037198481893,0.11155910265892721,0.2254390812905982,0.07575319502420963,0.5385942069433542,0.2764080396961617,0.6831319510391127 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2pyrlrn8 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.