INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=3.0849,1.6535058 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=3.0849,1.6535058 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 6 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 0.008908987075917234 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpnsdbmi7y | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_hP2_194_c-001: Hexagonal Close Packed (Mg, $A3$, hcp) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.5982,1.6330152 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.59819e+00 -5.34652e-06 -4.24290e+00] (Cartesian), [-0.99998071 -0.99998308 -0.99999918] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_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:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --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 A_hP2_194_c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --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_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2oiioiid --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_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpxu53d0ip --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_hP2_194_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP2_194_c --params=2.59823704176051,1.632993219861432 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp3x57uy8a --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.