INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=5.2458,1.5184147,2.1996836,84.0265,83.2911,76.651,0.32682501,0.21495054,0.73895885,0.31235387,0.7254045,0.72418624,0.63594843,0.58758582,0.63070461,0.64710674,0.5820948,0.78384372,0.033486353,0.8550161,0.84377096,0.99196618,0.86885231,0.64350784,0.25001744,0.75620793,0.55134074,0.25700892,0.64749614,0.98764036,0.40701677,0.81198777,0.96251524,0.17867919,0.25443892,0.84740743,0.36600677,0.71067946,0.92585423,0.16878936,0.78164991,0.63377007,0.54836405,0.61835841,0.71134998,0.56971221,0.095522813,0.73354784,0.21674787,0.77608159,0.83156052,0.2219342,0.29641919,0.63326621,0.017919815,0.39800555,0.85130883,0.21421155,0.14714546,0.9340849,0.69047992,0.055268947,0.82363912,0.3780188,0.3359556,0.55005816,0.65671294,0.031712886,0.63752079,0.97940723,0.32506536,0.62941476 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 13.256902360732905 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 0.1463758383770273 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=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=5.2458,1.5184147,2.1996836,84.0265,83.2911,76.651,0.32682501,0.21495054,0.73895885,0.31235387,0.7254045,0.72418624,0.63594843,0.58758582,0.63070461,0.64710674,0.5820948,0.78384372,0.033486353,0.8550161,0.84377096,0.99196618,0.86885231,0.64350784,0.25001744,0.75620793,0.55134074,0.25700892,0.64749614,0.98764036,0.40701677,0.81198777,0.96251524,0.17867919,0.25443892,0.84740743,0.36600677,0.71067946,0.92585423,0.16878936,0.78164991,0.63377007,0.54836405,0.61835841,0.71134998,0.56971221,0.095522813,0.73354784,0.21674787,0.77608159,0.83156052,0.2219342,0.29641919,0.63326621,0.017919815,0.39800555,0.85130883,0.21421155,0.14714546,0.9340849,0.69047992,0.055268947,0.82363912,0.3780188,0.3359556,0.55005816,0.65671294,0.031712886,0.63752079,0.97940723,0.32506536,0.62941476 --webpage INFO:kim_tools.test_driver.core:Minimization stopped after hitting the maximum of 200 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-0.01492777 0.02420486 0.08007076] [ 0.01492776 -0.02420486 -0.08007076] [-0.07032103 0.16362799 -0.06133783] [ 0.07032103 -0.16362799 0.0613379 ] [ 0.05233386 -0.00327092 -0.00055379] [-0.05233386 0.00327088 0.00055396] [ 0.1471517 -0.10837033 0.11119692] [-0.1471517 0.10837026 -0.11119697] [ 0.07513334 -0.05485707 0.01607599] [-0.07513335 0.05485711 -0.01607606] [ 0.09558251 0.03099689 -0.13186894] [-0.09558252 -0.03099682 0.13186906] [-0.06071769 0.14184344 0.06410145] [ 0.06071769 -0.1418434 -0.06410122] [-0.06859286 -0.06801857 0.09086084] [ 0.06859286 0.06801855 -0.09086104] [-0.05852553 -0.05451669 0.00144807] [ 0.05852553 0.05451675 -0.00144824] [-0.21267132 0.21601975 -0.03361339] [ 0.21267132 -0.2160198 0.03361326] [ 0.08674863 0.06807222 -0.13760205] [-0.08674863 -0.06807224 0.13760223] [ 0.04496301 -0.18259497 0.40350926] [-0.04496301 0.1825949 -0.4035095 ] [-0.38856267 0.24429578 -0.08744019] [ 0.38856266 -0.24429572 0.0874401 ] [-0.06384058 0.00607357 -0.26378256] [ 0.06384056 -0.00607351 0.26378258] [ 0.13673238 0.04398312 -0.33815033] [-0.13673237 -0.04398313 0.3381504 ] [-0.00173624 -0.07885816 0.1562832 ] [ 0.00173626 0.07885813 -0.15628301] [ 0.21557422 -0.34700325 0.07963713] [-0.21557422 0.34700332 -0.07963703] [-0.00921068 -0.00383785 -0.14742565] [ 0.0092107 0.00383787 0.14742585] [-0.05245162 -0.01050972 0.16890132] [ 0.05245163 0.01050964 -0.16890117] [ 0.00696678 0.07009621 -0.00154002] [-0.00696678 -0.07009621 0.00153978] [ 0.11254146 -0.07216872 0.16911491] [-0.11254146 0.07216863 -0.16911507] [-0.02464453 -0.0722916 -0.07189067] [ 0.02464451 0.07229165 0.07189055]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 0.00675563 -0.00203148 0.00946945 0.00260469 -0.00196143 -0.00678027] 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 0.0018243575194586228 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmplmi5rf28 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=4.672,1.4732235,2.3530608,93.0107,88.5785,86.9079,0.27284544,0.75108863,0.71952189,0.31031655,0.25238936,0.73653347,0.71307907,0.028120118,0.058548081,0.78260335,0.27056951,0.0029029412,0.7164388,0.19243652,0.46284915,0.083252189,0.083929502,0.35435009,0.10904668,0.093155354,0.1818202,0.39974685,0.41041444,0.20417599,0.35870887,0.36656607,0.37522293,0.89086807,0.22202128,0.17492062,0.84631924,0.67517537,0.14866802,0.83255117,0.17033985,0.37949097,0.71505911,0.17804717,0.067435146,0.46467185,0.35177534,0.28531926,0.78687979,0.6786578,0.38351784,0.55125158,0.12249634,0.73648559,0.32993513,0.94104941,0.3720709,0.62002347,0.7068273,0.48082787,0.34732236,0.94384466,0.15926018,0.26122107,0.2796664,0.95463598,0.082903029,0.56715871,0.15485772,0.96457132,0.41226541,0.61748386 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ -6.33462 -6.46245 -10.3071 ] (Cartesian), [-0.99998351 -0.99999808 -0.999996 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --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=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=4.672048298799558,1.4732102529626432,2.35304024285504,93.01071367897339,88.57849913757286,86.90790132065176,0.7271710442775923,0.2489132867312891,0.28048211482965013,0.6896999390150804,0.7476125515224865,0.2634705281820342,0.2869374201486916,0.9718817983283385,0.9414559218312917,0.21741313834773313,0.7294324079818724,0.9971010612304152,0.283577685870948,0.8075653992250271,0.5371548485589461,0.9167642967623075,0.9160724144983781,0.6456539173702258,0.8909698056669453,0.9068465621455428,0.8181838047058838,0.6002696315615164,0.5895874751951431,0.7958280097623862,0.6413076170212477,0.63343584755859,0.6247810740943098,0.10914841451088098,0.7779806338081658,0.8250833826275941,0.1536972486534549,0.32482654225020835,0.8513359864778565,0.16746531051234115,0.8296620659095395,0.6205130279651239,0.28495737429218115,0.8219547438685009,0.9325688567203958,0.5353446320149793,0.6482265750350442,0.714684744553364,0.21313669353484865,0.32134411375623717,0.6164861661828693,0.44876490590390805,0.8775055711568842,0.2635184171964289,0.6700813574995155,0.0589525068019876,0.6279331006524846,0.37999301562450416,0.29317461304170034,0.5191761345642774,0.6526941270501379,0.05615725771281488,0.8407438271281211,0.7387954135547299,0.7203355206258948,0.04536802686779495,0.91711345638655,0.4328432038390537,0.8451462774374576,0.03544516734463565,0.5877365033638513,0.3825201376788505 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.07174604e-17 1.85255407e-17] [ 0.00000000e+00 1.00000000e+00 -1.23780063e-17] [ 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 A2B7C7D6_aP44_2_2i_7i_7i_6i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=4.672048298799558,1.4732102529626432,2.35304024285504,93.01071367897339,88.57849913757286,86.90790132065176,0.7271710442775923,0.2489132867312891,0.28048211482965013,0.6896999390150804,0.7476125515224865,0.2634705281820342,0.2869374201486916,0.9718817983283385,0.9414559218312917,0.21741313834773313,0.7294324079818724,0.9971010612304152,0.283577685870948,0.8075653992250271,0.5371548485589461,0.9167642967623075,0.9160724144983781,0.6456539173702258,0.8909698056669453,0.9068465621455428,0.8181838047058838,0.6002696315615164,0.5895874751951431,0.7958280097623862,0.6413076170212477,0.63343584755859,0.6247810740943098,0.10914841451088098,0.7779806338081658,0.8250833826275941,0.1536972486534549,0.32482654225020835,0.8513359864778565,0.16746531051234115,0.8296620659095395,0.6205130279651239,0.28495737429218115,0.8219547438685009,0.9325688567203958,0.5353446320149793,0.6482265750350442,0.714684744553364,0.21313669353484865,0.32134411375623717,0.6164861661828693,0.44876490590390805,0.8775055711568842,0.2635184171964289,0.6700813574995155,0.0589525068019876,0.6279331006524846,0.37999301562450416,0.29317461304170034,0.5191761345642774,0.6526941270501379,0.05615725771281488,0.8407438271281211,0.7387954135547299,0.7203355206258948,0.04536802686779495,0.91711345638655,0.4328432038390537,0.8451462774374576,0.03544516734463565,0.5877365033638513,0.3825201376788505 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=4.672048298799558,1.4732102529626432,2.35304024285504,93.01071367897339,88.57849913757286,86.90790132065176,0.7271710442775923,0.2489132867312891,0.28048211482965013,0.6896999390150804,0.7476125515224865,0.2634705281820342,0.2869374201486916,0.9718817983283385,0.9414559218312917,0.21741313834773313,0.7294324079818724,0.9971010612304152,0.283577685870948,0.8075653992250271,0.5371548485589461,0.9167642967623075,0.9160724144983781,0.6456539173702258,0.8909698056669453,0.9068465621455428,0.8181838047058838,0.6002696315615164,0.5895874751951431,0.7958280097623862,0.6413076170212477,0.63343584755859,0.6247810740943098,0.10914841451088098,0.7779806338081658,0.8250833826275941,0.1536972486534549,0.32482654225020835,0.8513359864778565,0.16746531051234115,0.8296620659095395,0.6205130279651239,0.28495737429218115,0.8219547438685009,0.9325688567203958,0.5353446320149793,0.6482265750350442,0.714684744553364,0.21313669353484865,0.32134411375623717,0.6164861661828693,0.44876490590390805,0.8775055711568842,0.2635184171964289,0.6700813574995155,0.0589525068019876,0.6279331006524846,0.37999301562450416,0.29317461304170034,0.5191761345642774,0.6526941270501379,0.05615725771281488,0.8407438271281211,0.7387954135547299,0.7203355206258948,0.04536802686779495,0.91711345638655,0.4328432038390537,0.8451462774374576,0.03544516734463565,0.5877365033638513,0.3825201376788505 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --params=4.672048298799558,1.4732102529626432,2.35304024285504,93.01071367897339,88.57849913757286,86.90790132065176,0.7271710442775923,0.2489132867312891,0.28048211482965013,0.6896999390150804,0.7476125515224865,0.2634705281820342,0.2869374201486916,0.9718817983283385,0.9414559218312917,0.21741313834773313,0.7294324079818724,0.9971010612304152,0.283577685870948,0.8075653992250271,0.5371548485589461,0.9167642967623075,0.9160724144983781,0.6456539173702258,0.8909698056669453,0.9068465621455428,0.8181838047058838,0.6002696315615164,0.5895874751951431,0.7958280097623862,0.6413076170212477,0.63343584755859,0.6247810740943098,0.10914841451088098,0.7779806338081658,0.8250833826275941,0.1536972486534549,0.32482654225020835,0.8513359864778565,0.16746531051234115,0.8296620659095395,0.6205130279651239,0.28495737429218115,0.8219547438685009,0.9325688567203958,0.5353446320149793,0.6482265750350442,0.714684744553364,0.21313669353484865,0.32134411375623717,0.6164861661828693,0.44876490590390805,0.8775055711568842,0.2635184171964289,0.6700813574995155,0.0589525068019876,0.6279331006524846,0.37999301562450416,0.29317461304170034,0.5191761345642774,0.6526941270501379,0.05615725771281488,0.8407438271281211,0.7387954135547299,0.7203355206258948,0.04536802686779495,0.91711345638655,0.4328432038390537,0.8451462774374576,0.03544516734463565,0.5877365033638513,0.3825201376788505 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i 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--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=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp6t2fww0r --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=A2B7C7D6_aP44_2_2i_7i_7i_6i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B7C7D6_aP44_2_2i_7i_7i_6i 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpvq9zst0e --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.