INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.5832,0.60767507,0.17528056 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.1296090424980592 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_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.5832,0.60767507,0.17528056 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 10 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 0.0023506690046957586 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp3yhztivb | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.59,0.39228219,0.66733903 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.72184e-08 -2.72184e-08 -4.29500e+00] (Cartesian), [-4.99999959e-01 -4.99999959e-01 -6.33722878e-09] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_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:Failed to solve equations for prototype A2B_cI48_206_ad_c 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_cI48_206_ad_c 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_cI48_206_ad_c 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_cI48_206_ad_c 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_cI48_206_ad_c 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_cI48_206_ad_c 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_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.52796300e-17 -6.06727211e-19] [ 0.00000000e+00 1.00000000e+00 2.20107514e-17] [ 0.00000000e+00 0.00000000e+00 1.00000000e+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 A2B_cI48_206_ad_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --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_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpmk0r7eri --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_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpr2m72v_a --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_cI48_206_ad_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_cI48_206_ad_c --params=8.590000751247723,0.6077178240479114,0.167339049486545 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpq4z4vsul --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.