INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646,2.0039128,1.7224921,0.10635238 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.2394551911702216 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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646,2.0039128,1.7224921,0.10635238 --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 2 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 1.34890685e-09 1.23945501e+00 1.55431223e-14] [-1.34889888e-09 -1.23945501e+00 -1.59872116e-14]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-2.83090827e+00 -2.77646584e+00 -2.85797370e+00 6.45045180e-16 -1.51635437e-16 8.27037609e-10] 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 0.008011230420365644 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmphm11p5h7 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_oC4_63_c-001: $\alpha$-U ($A20$) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646,2.0039128,1.7224921,0.10635238 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.64568e-15 3.61965e-10 -2.26774e-15] (Cartesian), [-6.09292186e-11 6.09281084e-11 -4.44088893e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.32725239e-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_oC4_63_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_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.38,1.7635799,1.6884024,0.14768057 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.21158090605816138 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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.38,1.7635799,1.6884024,0.14768057 --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:[[-3.58725146e-09 2.11580901e-01 -1.76525461e-14] [ 3.58724805e-09 -2.11580901e-01 -1.77635684e-15]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-1.71852677e+00 -1.72959291e+00 -1.70882878e+00 4.62286364e-17 7.88440631e-16 -5.96305139e-10] 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 0.008687303299698529 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp0yds_hnv | 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_oC4_63_c --params=3.38,1.7635799,1.6884024,0.14768057 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.75255e-16 6.04541e-11 -2.85340e+00] (Cartesian), [-1.01418848e-11 1.01416627e-11 -4.99999988e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.42993379e-16 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_oC4_63_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_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp3hrdmy0c --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp5xwzqeax --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_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=2.9646000225236655,2.00391279950062,1.7224921098146107,0.10635238009139358 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC4_63_c --params=3.380000011926312,1.7635799000400707,1.6884023999663809,0.8523194300050708 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp5c1olaso --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 6 Property Instances down to 6.