INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=6.0296,0.5410475 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=6.0296,0.5410475 --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: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 0.007987735094545834 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpvj1am9o_ | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_tI4_141_a-001: $\beta$-Sn ($A5$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.926,0.54647317 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.48149 -4.4445 -0.809597] (Cartesian), [-1.00000322e+00 3.42665636e-06 -5.00005856e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --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 A_tI4_141_a 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:Failed to solve equations for prototype A_tI4_141_a 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 A_tI4_141_a 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 A_tI4_141_a 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 A_tI4_141_a 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 A_tI4_141_a on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.40730746e-16 6.87614232e-17] [ 0.00000000e+00 1.00000000e+00 -4.49015427e-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 A_tI4_141_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --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_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_zsbmw5s --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_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpw6d7861x --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_tI4_141_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tI4_141_a --params=5.925950600721951,0.546482323186346 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpc396xm1q --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.