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=4.8146,0.54949529 --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=4.8146,0.54949529 --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:[[ 1.72906244e-15 8.54510885e-15 -6.43929354e-15] [-2.02555024e-15 -9.02056208e-15 6.60582700e-15]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-3.76228424e-02 -3.76228424e-02 -1.79819416e-01 -2.26219323e-16 1.27760739e-17 1.09509205e-17] 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 0.0075901267881687 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpvjuu810x | 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_tI4_141_a --params=4.4925,0.67089594 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-0.00000e+00 -1.06293e-05 -3.01211e-07] (Cartesian), [-2.46596978e-06 -9.99373722e-08 -2.36603241e-06] (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:aflow --np=4 --proto=A_tI4_141_a --params=4.492457482939311,0.6709017530406493 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-5.13056338e-07 -9.99999656e-01 1.00000008e+00] [-1.00000031e+00 5.13056338e-07 9.99999896e-01] [ 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, 1.0], [-1.0, 0.0, 1.0], [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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --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=4.492457482939311,0.6709017530406493 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp_2z6mcn4 --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=4.492457482939311,0.6709017530406493 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmph7y9l97s --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=4.492457482939311,0.6709017530406493 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpneulqwwm --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.