INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.1077,1.0935059,0.20837965 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.0438921009701054 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_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.1077,1.0935059,0.20837965 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 8 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 0.0032205394465243038 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp6ymh_ppt | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A2B_hP9_180_j_c-001: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.1164,1.0670198,0.21225706 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.11639e+00 -1.00300e-06 -5.45928e+00] (Cartesian), [-0.99999386 -0.99999408 -0.99998773] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --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=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --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 A2B_hP9_180_i_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --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_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp43nd_mio --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_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpe8ox9r35 --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_hP9_180_i_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_hP9_180_i_d --params=5.116420846955586,1.0670246135932706,0.21226065599007046 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpl0tgayht --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.