INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.4722,1.1847649,2.3698375,116.1632,0.29340794,0.49708126,0.075405634,0.27699084,0.971243,0.71632516,0.19996534,0.95436986,0.022237329,0.22048636,0.10810871,0.68039175,0.49136786,0.97763121,0.63910818,0.69465284,0.077027513,0.95140278,0.50722618,0.1370165,0.69196333,0.38671742,0.27510364,0.47496446,0.61165034,0.17485345,0.95572711,0.17479778,0.0098159899,0.80053151,0.60394297,0.055781708,0.92988295,0.35145334,0.32041137,0.42957401,0.65424317,0.079720283 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.6869785209717079 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=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.4722,1.1847649,2.3698375,116.1632,0.29340794,0.49708126,0.075405634,0.27699084,0.971243,0.71632516,0.19996534,0.95436986,0.022237329,0.22048636,0.10810871,0.68039175,0.49136786,0.97763121,0.63910818,0.69465284,0.077027513,0.95140278,0.50722618,0.1370165,0.69196333,0.38671742,0.27510364,0.47496446,0.61165034,0.17485345,0.95572711,0.17479778,0.0098159899,0.80053151,0.60394297,0.055781708,0.92988295,0.35145334,0.32041137,0.42957401,0.65424317,0.079720283 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 72 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:Automatically set max fractional residual for solving position equations to 0.0015736979285429103 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpj09ftfz2 | 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=A2B_mP54_13_ae8g_f4g --params=7.4137,1.1902154,2.3774903,115.8659,0.29433905,0.51686519,0.63372904,0.68215689,0.077808301,0.94173901,0.49621889,0.13243757,0.69097059,0.40947719,0.26668086,0.44742567,0.6283955,0.17126545,0.68023343,0.49944874,0.47286035,0.069711098,0.27498223,0.96600493,0.73186232,0.21177594,0.96992428,0.058864031,0.22564082,0.11277458,0.58015842,0.65316313,0.42271705,0.79871684,0.39715132,0.55517382,0.9209447,0.64632117,0.81736715,0.96830763,0.82400574,0.51394219 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.36495e-06 -1.21263e-05 -1.85578e-05] (Cartesian), [-1.80643312e-06 -1.37426177e-06 -1.16958902e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --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=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.59180761e-16] [ 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 A2B_mP54_13_ae8g_f4g that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --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=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpexu71sxh --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=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpjmzcm6qc --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=A2B_mP54_13_ae8g_f4g --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_mP54_13_ae8g_f4g --params=7.413669892376949,1.190215489752179,2.377494918735963,115.86593409046154,0.2943376777059572,0.5168638117856919,0.6337272367072995,0.6821555157619366,0.07780713134130735,0.9417372031999902,0.4962175142533909,0.13243639649296468,0.6909687807979579,0.40947581264083466,0.2666796876738404,0.44742386085280206,0.6283941252472687,0.17126427840304914,0.680231621494058,0.4994473702070368,0.4728591790406127,0.06970929129904846,0.2749808558674056,0.9660037640802872,0.7318605139952763,0.21177456081161572,0.969923111194666,0.058862224131980945,0.2256394448741581,0.11277341071378544,0.5801566106277658,0.6531617516150594,0.42271587635433505,0.7987150299080097,0.3971499492030037,0.5551726473279037,0.9209428969543962,0.646319795184076,0.8173659807527769,0.9683058258183759,0.8240043612053738,0.5139410192033416 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpivzk9b58 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.