INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.8898,1.0021841,0.85641772,0.35075085,0.34814755,0.14964383,0.14740738,0.69286756,0.8068333,0.25114204,0.95903906,0.81776696,0.21733479,0.68330794,0.54098269,0.28159749,0.8299476,0.8793806,0.31267557,0.62125104,0.67023085,0.1873587 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.2332393849091576 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_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.8898,1.0021841,0.85641772,0.35075085,0.34814755,0.14964383,0.14740738,0.69286756,0.8068333,0.25114204,0.95903906,0.81776696,0.21733479,0.68330794,0.54098269,0.28159749,0.8299476,0.8793806,0.31267557,0.62125104,0.67023085,0.1873587 --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 43 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-4.14053984e-04 2.19616516e-04 -3.18790133e-13] [ 4.14053983e-04 -2.19616517e-04 -3.25427185e-13] [ 4.14053983e-04 2.19616517e-04 -3.28626015e-13] [-4.14053983e-04 -2.19616516e-04 -3.29070104e-13] [ 1.98199089e-04 -2.96441177e-04 2.04058992e-13] [-1.98199089e-04 2.96441178e-04 2.29427588e-13] [-1.98199089e-04 -2.96441177e-04 2.10255424e-13] [ 1.98199089e-04 2.96441177e-04 2.21989094e-13] [-7.69013438e-04 -6.43256811e-04 1.00950772e-04] [ 7.69013438e-04 6.43256811e-04 1.00950771e-04] [ 7.69013438e-04 -6.43256811e-04 -1.00950772e-04] [-7.69013438e-04 6.43256811e-04 -1.00950772e-04] [ 7.69013438e-04 6.43256811e-04 -1.00950772e-04] [-7.69013438e-04 -6.43256811e-04 -1.00950772e-04] [-7.69013438e-04 6.43256812e-04 1.00950771e-04] [ 7.69013438e-04 -6.43256811e-04 1.00950772e-04] [ 9.02708283e-04 9.06936618e-05 1.39655854e-04] [-9.02708283e-04 -9.06936617e-05 1.39655853e-04] [-9.02708283e-04 9.06936617e-05 -1.39655854e-04] [ 9.02708283e-04 -9.06936615e-05 -1.39655854e-04] [-9.02708283e-04 -9.06936617e-05 -1.39655853e-04] [ 9.02708283e-04 9.06936618e-05 -1.39655854e-04] [ 9.02708283e-04 -9.06936616e-05 1.39655854e-04] [-9.02708283e-04 9.06936617e-05 1.39655854e-04] [ 6.46130171e-04 6.77752382e-04 4.71429974e-04] [-6.46130171e-04 -6.77752382e-04 4.71429974e-04] [-6.46130171e-04 6.77752382e-04 -4.71429974e-04] [ 6.46130172e-04 -6.77752381e-04 -4.71429974e-04] [-6.46130172e-04 -6.77752382e-04 -4.71429974e-04] [ 6.46130171e-04 6.77752382e-04 -4.71429974e-04] [ 6.46130171e-04 -6.77752381e-04 4.71429974e-04] [-6.46130171e-04 6.77752382e-04 4.71429974e-04] [ 8.46851076e-04 -1.15144026e-03 -8.87527196e-04] [-8.46851075e-04 1.15144026e-03 -8.87527196e-04] [-8.46851076e-04 -1.15144026e-03 8.87527196e-04] [ 8.46851075e-04 1.15144026e-03 8.87527196e-04] [-8.46851075e-04 1.15144026e-03 8.87527196e-04] [ 8.46851076e-04 -1.15144026e-03 8.87527196e-04] [ 8.46851075e-04 1.15144026e-03 -8.87527196e-04] [-8.46851076e-04 -1.15144026e-03 -8.87527196e-04] [-1.28540102e-03 8.51492125e-04 -8.89088156e-04] [ 1.28540102e-03 -8.51492125e-04 -8.89088156e-04] [ 1.28540102e-03 8.51492125e-04 8.89088156e-04] [-1.28540102e-03 -8.51492126e-04 8.89088156e-04] [ 1.28540102e-03 -8.51492125e-04 8.89088156e-04] [-1.28540102e-03 8.51492125e-04 8.89088156e-04] [-1.28540102e-03 -8.51492126e-04 -8.89088156e-04] [ 1.28540102e-03 8.51492125e-04 -8.89088156e-04]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 6.20764933e-05 -6.74457708e-05 -5.89423965e-06 2.14302446e-17 -3.13170736e-17 -6.94345827e-16] 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 0.0017120458362667214 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpqnu6oc4d | 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_oP48_55_gh3i_2i --params=9.9211,1.0019857,0.84119704,0.3385967,0.36244141,0.13610723,0.15992782,0.82163436,0.029650448,0.28634502,0.47034995,0.67759692,0.21291354,0.20757315,0.70776986,0.25082082,0.63078512,0.66050033,0.81253431,0.66040462,0.36970904,0.3125588 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.92108e+00 -9.05615e-06 -4.95605e-06] (Cartesian), [-9.99994359e-01 -9.11010160e-07 -5.93852836e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --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_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --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 A2B_oP48_55_gh3i_2i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --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_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2d8dkbsv --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_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpgwcgzwyc --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_oP48_55_gh3i_2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oP48_55_gh3i_2i --params=9.921135962158024,1.0019798444885062,0.8411925985884917,0.6614089366441211,0.6375576741083713,0.8638984085704724,0.8400712678559312,0.178371284400886,0.9703486411851758,0.713654384696774,0.5296556902980978,0.32240216650938414,0.7870858618483922,0.7924324938485097,0.29222922424573605,0.7491785837971077,0.3692205196579097,0.33949875445229294,0.1874650941850453,0.33960102069131826,0.6302900480493034,0.687440609938113 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpbqg44cro --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.