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=3.6555,1.5493093 --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=3.6555,1.5493093 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 5 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 0.008813939299832556 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpj7bc8981 | 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=3.6464,1.5801338 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.64640e+00 -7.27541e-07 -5.76180e+00] (Cartesian), [-0.9999985 -0.99999873 -0.99999882] (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=3.646405040554918,1.580133518542332 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 9.99999767e-01 -2.33125055e-07 0.00000000e+00] [ 9.99999534e-01 -9.99999767e-01 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: [[1.0, 0.0, 0.0], [1.0, -1.0, 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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --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=3.646405040554918,1.580133518542332 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpj25i0sf1 --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=3.646405040554918,1.580133518542332 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpihdrsf1w --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=3.646405040554918,1.580133518542332 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmppkrvwf3_ --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.