INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.5901054156892153 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=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.5959,1.285903,0.49246407,0.99994518,0.21340616,0.39342112,0.99751753,0.2773131,0.94908387,0.62563937,0.29385601,0.77128637,0.13906362 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 27 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 0.003524012722322201 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp8ov0ha8t | 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=A_oC40_63_2cf3g --params=10.4828,1.3236826,0.51325982,0.99745169,0.21916113,0.60588016,0.010464708,0.7687388,0.13741272,0.37171502,0.29659012,0.71822536,0.94925548 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.51080e-05 4.58752e-08 -2.69021e+00] (Cartesian), [-1.44452851e-06 -1.43791632e-06 -5.00005834e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --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=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.16623674e-07 1.00000026e+00 0.00000000e+00] [ 1.00000032e+00 -1.16623674e-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 A_oC40_63_2cf3g that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --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=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpk_qx4wk3 --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=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_a5hgk11 --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=A_oC40_63_2cf3g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC40_63_2cf3g --params=10.4827678661969,1.323690326792002,0.5132573090944926,0.0025483096113317893,0.780838870903827,0.39411984778283193,0.01045887410951507,0.2312597637065108,0.8625872861052465,0.6282835386348338,0.7034098824198745,0.28177320174171205,0.05074452392726387 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp6s_k9ed6 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.