INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.0948,17.16993,0.035795695,0.75001146,0.17865604,0.89293731,0.32151123,0.60722224,0.46436731,0.0,0.71427542,0.57142009,0.85713501,0.14284678,0.42856204,0.28570317,0.7023923,0.94047795,0.84518945,0.51190629,0.41662026,0.22619687,0.13090658,0.66665864,0.80948712,0.476198,0.095200242,0.9047721,0.19048242,0.38091508,0.083336502,0.98804706,0.79762317,0.6547704,0.55947403,0.36905128,0.27376468,0.33333903,0.2380573,0.047625475,0.52377299,0.61905942,0.76189207,0.95234763 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.10826748580270551 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 0.02011482536272118 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_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.0948,17.16993,0.035795695,0.75001146,0.17865604,0.89293731,0.32151123,0.60722224,0.46436731,0.0,0.71427542,0.57142009,0.85713501,0.14284678,0.42856204,0.28570317,0.7023923,0.94047795,0.84518945,0.51190629,0.41662026,0.22619687,0.13090658,0.66665864,0.80948712,0.476198,0.095200242,0.9047721,0.19048242,0.38091508,0.083336502,0.98804706,0.79762317,0.6547704,0.55947403,0.36905128,0.27376468,0.33333903,0.2380573,0.047625475,0.52377299,0.61905942,0.76189207,0.95234763 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 27 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 0.002491422585768161 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp6ve8qmt2 | 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_hP42_156_7a7b7c_7a7b7c --params=3.0847,17.146303,0.03571442,0.75000018,0.17857161,0.89285727,0.32142881,0.6071431,0.46428598,0.57142882,0.28571452,0.42857169,0,0.7142859,0.85714299,0.14285732,0.70238115,0.94047631,0.84523824,0.13095255,0.51190502,0.41666693,0.22619067,0.095238248,0.90476203,0.80952396,0.66666687,0.38095264,0.19047638,0.47619074,0.36904787,0.27380974,0.083333475,0.98809536,0.7976192,0.65476212,0.55952406,0.23809544,0.52380978,0.047619184,0.61904784,0.33333358,0.76190492,0.95238107 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.39314e-06 -3.26247e-14 -5.28912e+01] (Cartesian), [-2.39673004e-06 -2.39673005e-06 -9.99999880e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --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_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.99999767e-01 9.99999534e-01 0.00000000e+00] [-9.99999534e-01 -2.33125055e-07 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, 1.0, 0.0], [-1.0, 0.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB_hP42_156_7a7b7c_7a7b7c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c 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INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c 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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_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c 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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_hP42_156_7a7b7c_7a7b7c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP42_156_7a7b7c_7a7b7c --params=3.084677820594973,17.14642806683761,0.03571454010164876,0.7500002975521518,0.17857173322540532,0.8928573927842653,0.321428928392681,0.6071432168981414,0.464286100607765,0.5714289392209007,0.2857146358087914,0.4285718145477153,2.500130622529184e-07,0.7142860225427441,0.8571431123225492,0.14285744131665412,0.702381271924402,0.9404764296089567,0.8452383562698853,0.1309526698864043,0.5119051400709038,0.416667053126204,0.22619079419313426,0.09523836826917464,0.90476214598791,0.8095240753915045,0.6666669941945031,0.3809527595584621,0.1904765050116577,0.47619085858541577,0.36904798533453054,0.27380986419140907,0.08333359540789309,0.9880954818472591,0.7976193187359972,0.6547622385847287,0.5595241849106507,0.2380955635239672,0.5238099031977033,0.04761930447803753,0.6190479640107407,0.3333336958703821,0.7619050438592314,0.9523811931612125 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpfe_stbue --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.