INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.8469,0.24794728 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.06259368424514516 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=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.8469,0.24794728 --webpage INFO:kim_tools.test_driver.core:The following exception was caught during minimization: INFO:kim_tools.test_driver.core:RuntimeError('LineSearch failed!') INFO:kim_tools.test_driver.core:Minimization stalled after 1 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-0.06756833 -0.06756833 -0.06756833] [ 0.06756833 0.06756833 -0.06756833] [ 0.06756833 -0.06756833 0.06756833] [-0.06756833 0.06756833 0.06756833] [-0.06756833 -0.06756833 -0.06756833] [ 0.06756833 0.06756833 -0.06756833] [-0.06756833 0.06756833 0.06756833] [ 0.06756833 -0.06756833 0.06756833]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-5.42161959e-03 -5.42161959e-03 -5.42161959e-03 -2.52785426e-18 1.00278516e-18 -3.59331349e-18] 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 0.005455618179858604 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmph7aics81 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry None: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.9253,0.24141735 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.73132 -1.73132 -5.19397] (Cartesian), [-0.99999256 -0.99999256 -0.49999556] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_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_cI16_220_c --params=6.925341520667168,0.7528641032727534 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.68344957e-16 -6.97709826e-17] [ 0.00000000e+00 -1.00000000e+00 -5.63156414e-17] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:No matching rotation found INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_220_c, but it was rotated relative to the original cell 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:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7528641032727533 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.68344957e-16 -6.97709826e-17] [ 0.00000000e+00 -1.00000000e+00 -5.63156414e-17] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:No matching rotation found INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_220_c, but it was rotated relative to the original cell 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:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7528641032727532 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.68344957e-16 -6.97709826e-17] [ 0.00000000e+00 -1.00000000e+00 -5.63156414e-17] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:No matching rotation found INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_220_c, but it was rotated relative to the original cell 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:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 4.20535687e-07 -1.00000055e+00 1.00000048e+00] [-2.51649558e-07 -1.00000009e+00 4.05966555e-07] [ 1.00000051e+00 -9.99999860e-01 -3.26502242e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, -1.0, 1.0], [0.0, -1.0, 0.0], [1.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cI16_220_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_cI16_220_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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1ti4v34u --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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8vici9qi --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_cI16_220_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cI16_220_c --params=6.925341520667168,0.7414205705735137 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmppi6zuekl --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.