INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0942,22.083123,0.027737996,0.10185281,0.25006394,0.95367302,0.36117442,0.80561884,0.4722888,0.69450991,0.58340023,0.22221393,0.33332381,0.07407983,0.44443225,0.99998277,0.55554715,0.66665413,0.77776987,0.92589232,0.65737804,0.5092664,0.73148577,0.43515581,0.8796954,0.13885487,0.99080585,0.28704109,0.21292166,0.96295221,0.70370561,0.2592665,0.40737461,0.85184069,0.48148442,0.62959668,0.11108069,0.18517325,0.76848619,0.064877279,0.17598852,0.32404073,0.39815432,0.54626724,0.62037798,0.84255183,0.91667359,0.5925992,0.51848559,0.74070728,0.037026739,0.81479934,0.370376,0.88889355,0.1481435,0.29626557 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.11943257601344426 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.023772753686074018 eV/angstrom^3 even though the nominal state of the system is unstressed. 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=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0942,22.083123,0.027737996,0.10185281,0.25006394,0.95367302,0.36117442,0.80561884,0.4722888,0.69450991,0.58340023,0.22221393,0.33332381,0.07407983,0.44443225,0.99998277,0.55554715,0.66665413,0.77776987,0.92589232,0.65737804,0.5092664,0.73148577,0.43515581,0.8796954,0.13885487,0.99080585,0.28704109,0.21292166,0.96295221,0.70370561,0.2592665,0.40737461,0.85184069,0.48148442,0.62959668,0.11108069,0.18517325,0.76848619,0.064877279,0.17598852,0.32404073,0.39815432,0.54626724,0.62037798,0.84255183,0.91667359,0.5925992,0.51848559,0.74070728,0.037026739,0.81479934,0.370376,0.88889355,0.1481435,0.29626557 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 32 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 0.0022912156629280984 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpla6az6gs | 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=AB_hP54_156_9a9b9c_9a9b9c --params=3.083,22.045313,0.95370383,0.25000024,0.47222246,0.10185203,0.80555568,0.58333353,0.69444461,0.027777918,0.36111136,0.44444468,0.074074242,0.33333359,0.22222246,0,0.55555576,0.77777791,0.92592605,0.66666683,0.84259272,0.91666678,0.76851866,0.064814972,0.17592614,0.32407433,0.3981484,0.54629651,0.62037056,0.14814835,0.29629655,0.51851874,0.37037062,0.81481494,0.037037189,0.88888901,0.59259278,0.74074088,0.21296319,0.28703729,0.99074087,0.13888908,0.43518543,0.87962975,0.65740758,0.50925948,0.73148163,0.62962981,0.96296309,0.70370386,0.25925951,0.1111113,0.85185197,0.18518541,0.40740765,0.48148171 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.26002e-06 2.84568e-14 -6.79657e+01] (Cartesian), [-1.38178322e-06 -1.38178321e-06 -9.99999853e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --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=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.92636382e-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 AB_hP54_156_9a9b9c_9a9b9c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --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=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpzs_452hn --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=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpwh7oz6em --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=AB_hP54_156_9a9b9c_9a9b9c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP54_156_9a9b9c_9a9b9c --params=3.0829872199398682,22.045407642784358,0.9537039725240253,0.2500003866575029,0.4722226054086107,0.10185217297716331,0.8055558322439538,0.5833336813472687,0.6944447539161793,0.027778065299420618,0.3611115122252839,0.44444482972582455,0.07407438981930636,0.33333373511905595,0.2222226046632716,2.841118262875142e-07,0.5555559073102692,0.7777780576897677,0.9259261928931395,0.6666669809370158,0.21296333602798745,0.28703743288451156,0.9907410170220414,0.13888922845979268,0.435185575544359,0.8796298947325001,0.6574077316732438,0.5092596293663392,0.7314817807011982,0.6296299575939877,0.9629632356356024,0.7037040060580644,0.2592596527016109,0.11111144512386906,0.851852118564,0.18518555316478125,0.4074077995166987,0.4814818549487154,0.8425928635573352,0.9166669306270778,0.7685188066543382,0.06481511946109242,0.17592628419234835,0.3240744730959393,0.3981485446072215,0.5462966568824661,0.6203707052629084,0.14814850170082927,0.2962966939469629,0.5185188825585665,0.370370768846914,0.8148150873174114,0.03703733652111607,0.8888891529568359,0.5925929309211795,0.7407410322240411 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpotx9pqsx --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.