INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.7917,0.59708408,0.58838251,0.83822815,0.82662815 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.47741226987022434 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_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.7917,0.59708408,0.58838251,0.83822815,0.82662815 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 15 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: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 0.005847918470432655 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp89zuo7c5 | 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_oC8_63_g --params=7.1575,0.68864827,0.63585051,0.82377019,0.85466452 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.24703e-06 9.32548e-07 -2.27556e+00] (Cartesian), [-7.82563311e-07 -4.04174608e-07 -5.00007071e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --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_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.98790049e-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_oC8_63_g that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --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_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpiimnri7w --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_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpsz4fa1o7 --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_oC8_63_g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC8_63_g --params=7.157485970130721,0.6886562975252328,0.6358455554578349,0.8237695980854274,0.14533566519844504 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpfeqhcgo8 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.