INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7695,3.5762773 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7695,3.5762773 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 8 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 0.006994156982718605 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpcye8efa0 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_hP4_194_ac-001: $\alpha$-La ($A3'$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528,3.3749637 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.75278e+00 3.01639e-06 -4.64529e+00] (Cartesian), [-0.99997818 -0.99997692 -0.49999808] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --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_hP4_194_ac 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_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -5.51271222e-17 0.00000000e+00] [ 0.00000000e+00 1.00000000e+00 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], [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_hP4_194_ac that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --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_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpp631533d --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_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpj4q9gy7_ --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_hP4_194_ac --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_ac --params=2.7528417963469294,3.3749181224506315 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpqpazoj6d --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.