INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.7818,0.74413816 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 3.6084963672901242 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=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.7818,0.74413816 --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 17 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 6.91946418e-12 6.64512575e-12 -1.47745614e-10] [-4.49714352e-11 -4.66882928e-11 5.46787161e-11] [-2.67512602e-02 -2.42591147e-02 9.17718635e-06] [ 9.91675281e-06 8.40040758e-06 4.53850291e-05] [-5.61255165e-06 -1.11599732e-05 -9.44196589e-06] [-3.20090745e-07 2.20717690e-06 -8.93245975e-06] [ 1.53152066e-03 1.52849096e-03 1.53628845e-03] [ 1.18502606e-02 1.06047014e-02 1.54003634e-03] [-1.53985793e-03 1.53155295e-03 -1.54696781e-03] [ 1.53170576e-03 -1.53493909e-03 -1.54733078e-03] [ 1.49155490e-02 1.36701351e-02 -1.52533776e-03] [-1.53372540e-03 -1.53689027e-03 -1.52905967e-03] [ 1.52553859e-03 -1.53381225e-03 1.51833623e-03] [-1.53364339e-03 1.53041006e-03 1.51782721e-03]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-5.93429358e-04 -5.93433910e-04 -5.93423471e-04 4.89773620e-10 -2.12545754e-09 -2.48403271e-09] 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 0.003436341706165508 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpayl90vam | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A3B4_cF56_227_ad_e-001: Spinel (Co$_{3}$O$_{4}$, $D7_{2}$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.9724,0.75001754 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23423e-05 -1.23423e-05 -1.13138e-05] (Cartesian), [-1.62266174e-06 -1.62266174e-06 -1.91768333e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --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=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.69872177e-17 1.42157869e-17] [ 0.00000000e+00 -1.00000000e+00 1.66930099e-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 A3B4_cF56_227_ad_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --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=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpjuh_sed8 --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=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpql428yqh --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=A3B4_cF56_227_ad_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_cF56_227_ad_e --params=6.972371201208614,0.24998073422681744 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprp1k96d3 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.