INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0211,1.2156872,0.64900192,0.14827124 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 3.0558009663282455 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=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0211,1.2156872,0.64900192,0.14827124 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 13 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 0.005871439940490942 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp7n2volx4 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A3B2_hP5_164_ad_d-001: Al$_{3}$Ni$_{2}$ ($D5_{13}$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3726,1.2809084,0.36228628,0.85169056 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.92929e-06 3.71291e-07 -5.60089e+00] (Cartesian), [-4.90247933e-07 -3.92198592e-07 -9.99993212e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_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=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125053e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125053e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --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=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp0d6n5gdu --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=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp43etpc69 --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=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp4xejhb67 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.