INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.3438,0.49068602,0.47649718,0.74455046,0.72128276,0.86039158,0.73562218,0.23054404,0.61901614,0.76716911,0.75559437 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 10.761873426412269 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=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.3438,0.49068602,0.47649718,0.74455046,0.72128276,0.86039158,0.73562218,0.23054404,0.61901614,0.76716911,0.75559437 --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 34 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-2.71501140e-11 -2.60099308e-07 -9.25861220e-12] [-2.89235419e-10 -9.62621370e-13 -1.65827439e-12] [-4.57010473e-11 2.60098840e-07 -9.04761778e-12] [ 1.38329602e-04 5.19230568e-13 2.02226218e-12] [-1.38329610e-04 -9.16318533e-12 8.87420081e-12] [ 2.14726432e-03 -5.23991391e-14 -2.36303201e-12] [-2.14726434e-03 7.72300097e-12 -7.55296841e-12] [ 2.49108624e-03 -2.37033675e-03 -2.14335706e-03] [-2.49108631e-03 2.37033674e-03 -2.14335702e-03] [-2.49108630e-03 -2.37033674e-03 2.14335703e-03] [ 2.49108624e-03 2.37033675e-03 2.14335706e-03] [ 2.41368830e-04 -1.86923643e-04 -1.80927867e-04] [-2.41368572e-04 1.86923617e-04 -1.80927862e-04] [-2.41368573e-04 -1.86923618e-04 1.80927862e-04] [ 2.41368830e-04 1.86923643e-04 1.80927869e-04]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 2.07023196e-04 -6.41560478e-05 7.90065927e-05 -2.46161683e-14 -1.48411153e-13 -1.12379991e-14] 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 0.003296065372702445 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpagk00bfj | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A11B4_oP15_16_acgqtu_u-001: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.4782,0.49112086,0.45540371,0.74393271,0.72232404,0.86469939,0.75014544,0.23257085,0.62386619,0.77497176,0.7547615 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.47818e+00 -8.26456e-08 -3.40559e+00] (Cartesian), [-9.99991659e-01 -2.25026828e-08 -9.99991586e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --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=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1. 0. 0.] [ 0. 1. 0.] [ 0. 0. -1.]] 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 A11B4_oP15_16_abcjku_u that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --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=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpw9z50yxk --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=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpagwjydg4 --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=A11B4_oP15_16_abcjku_u --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A11B4_oP15_16_abcjku_u --params=7.478242377488866,0.4911180558853,0.45540362078952434,0.7439410523241627,0.7223323820944487,0.8647077316262843,0.2498545375231629,0.7674375684898049,0.6238745285116702,0.22502821606670764,0.2452469190351223 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpaqvwinth --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.