INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --params=25.5153,0.59626185,0.38807304,85.6678,0.5018589,0.68877825,0.96352682,0.39618647,0.85290647,0.066655781,0.19885487,0.85161909,0.93394953,0.32543919,0.90872025,0.95961914,0.50215183,0.39194115,0.3160815,0.19689941,0.45947298,0.2475486,0.3176402,0.2268061,0.13306616,0.35835738,0.74433636,0.76915545,0.24636872,0.32359862,0.22635453,0.12155393,0.30617288,0.092719903,0.23378721,0.44585184,0.099109512,0.39907312,0.76670646,0.88208696,0.40378522,0.46313645,0.74291846,0.18744694,0.52487726,0.65186183,0.50503416,0.39433722,0.67549036,0.32193311,0.43434955,0.610825,0.50714113,0.55091352,0.89443078,0.35966828,0.33102234,0.78459971,0.3807846,0.36635198,0.90960313,0.26587063,0.36114403,0.039715317,0.39377295 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.8322527318520285 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=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --params=25.5153,0.59626185,0.38807304,85.6678,0.5018589,0.68877825,0.96352682,0.39618647,0.85290647,0.066655781,0.19885487,0.85161909,0.93394953,0.32543919,0.90872025,0.95961914,0.50215183,0.39194115,0.3160815,0.19689941,0.45947298,0.2475486,0.3176402,0.2268061,0.13306616,0.35835738,0.74433636,0.76915545,0.24636872,0.32359862,0.22635453,0.12155393,0.30617288,0.092719903,0.23378721,0.44585184,0.099109512,0.39907312,0.76670646,0.88208696,0.40378522,0.46313645,0.74291846,0.18744694,0.52487726,0.65186183,0.50503416,0.39433722,0.67549036,0.32193311,0.43434955,0.610825,0.50714113,0.55091352,0.89443078,0.35966828,0.33102234,0.78459971,0.3807846,0.36635198,0.90960313,0.26587063,0.36114403,0.039715317,0.39377295 --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:[[ 1.71965914e-12 1.44441566e-06 8.08034195e-13] [ 3.51371710e-13 -1.44441461e-06 -2.91543178e-12] [ 1.90664858e-03 -1.61906602e-02 1.60429198e-02] [-1.90664857e-03 -1.61906602e-02 -1.60429198e-02] [-1.90664858e-03 1.61906602e-02 -1.60429198e-02] [ 1.90664859e-03 1.61906602e-02 1.60429198e-02] [-1.42036646e-04 -3.28816744e-05 5.89173781e-05] [ 1.42036638e-04 -3.28816808e-05 -5.89173780e-05] [ 1.42036638e-04 3.28816770e-05 -5.89173815e-05] [-1.42036646e-04 3.28816787e-05 5.89173761e-05] [ 6.67726854e-04 1.51039868e-03 2.56118644e-04] [-6.67726865e-04 1.51039868e-03 -2.56118640e-04] [-6.67726862e-04 -1.51039868e-03 -2.56118644e-04] [ 6.67726862e-04 -1.51039868e-03 2.56118636e-04] [-8.82954501e-04 4.86322231e-04 2.80674692e-04] [ 8.82954501e-04 4.86322224e-04 -2.80674689e-04] [ 8.82954501e-04 -4.86322230e-04 -2.80674690e-04] [-8.82954499e-04 -4.86322225e-04 2.80674693e-04] [-1.33645035e-03 -4.54453647e-04 -3.34495426e-04] [ 1.33645034e-03 -4.54453638e-04 3.34495420e-04] [ 1.33645034e-03 4.54453641e-04 3.34495421e-04] [-1.33645035e-03 4.54453643e-04 -3.34495423e-04] [-1.61149796e-03 -1.44419726e-04 -8.42846148e-04] [ 1.61149796e-03 -1.44419726e-04 8.42846149e-04] [ 1.61149796e-03 1.44419726e-04 8.42846148e-04] [-1.61149796e-03 1.44419726e-04 -8.42846154e-04] [-2.17396236e-02 -6.10173417e-03 1.75811841e-02] [ 2.17396236e-02 -6.10173417e-03 -1.75811841e-02] [ 2.17396236e-02 6.10173418e-03 -1.75811841e-02] [-2.17396236e-02 6.10173417e-03 1.75811841e-02] [ 1.28297788e-01 -2.08298796e-01 -7.34863268e-03] [-1.28297788e-01 -2.08298796e-01 7.34863268e-03] [-1.28297788e-01 2.08298796e-01 7.34863268e-03] [ 1.28297788e-01 2.08298796e-01 -7.34863268e-03] [ 1.32836651e-02 1.80064691e-02 -1.69606121e-02] [-1.32836651e-02 1.80064690e-02 1.69606121e-02] [-1.32836651e-02 -1.80064690e-02 1.69606121e-02] [ 1.32836651e-02 -1.80064691e-02 -1.69606121e-02] [-6.89795321e-02 1.03064786e-01 1.70326939e-02] [ 6.89795321e-02 1.03064786e-01 -1.70326939e-02] [ 6.89795321e-02 -1.03064786e-01 -1.70326939e-02] [-6.89795321e-02 -1.03064786e-01 1.70326939e-02] [-7.65322642e-04 -6.29002915e-04 -2.62260374e-04] [ 7.65322629e-04 -6.29002909e-04 2.62260373e-04] [ 7.65322628e-04 6.29002909e-04 2.62260373e-04] [-7.65322646e-04 6.29002915e-04 -2.62260368e-04] [-3.74200169e-04 8.00530533e-03 1.76289853e-03] [ 3.74200169e-04 8.00530532e-03 -1.76289854e-03] [ 3.74200170e-04 -8.00530532e-03 -1.76289853e-03] [-3.74200183e-04 -8.00530533e-03 1.76289853e-03] [-3.33125744e-04 -2.90549934e-04 2.97225933e-04] [ 3.33125748e-04 -2.90549935e-04 -2.97225937e-04] [ 3.33125741e-04 2.90549935e-04 -2.97225941e-04] [-3.33125741e-04 2.90549934e-04 2.97225937e-04] [ 1.45188678e-03 2.25348138e-04 4.10154674e-04] [-1.45188678e-03 2.25348135e-04 -4.10154670e-04] [-1.45188678e-03 -2.25348138e-04 -4.10154673e-04] [ 1.45188678e-03 -2.25348134e-04 4.10154675e-04] [-1.12242543e-03 1.61393758e-04 3.34125150e-05] [ 1.12242541e-03 1.61393756e-04 -3.34125120e-05] [ 1.12242542e-03 -1.61393752e-04 -3.34125109e-05] [-1.12242542e-03 -1.61393762e-04 3.34125141e-05] [ 6.78446258e-04 3.92487240e-04 -3.52164066e-04] [-6.78446263e-04 3.92487243e-04 3.52164070e-04] [-6.78446261e-04 -3.92487240e-04 3.52164067e-04] [ 6.78446262e-04 -3.92487243e-04 -3.52164066e-04] [-2.67594508e-03 1.56019787e-03 2.11964255e-03] [ 2.67594507e-03 1.56019787e-03 -2.11964254e-03] [ 2.67594507e-03 -1.56019787e-03 -2.11964254e-03] [-2.67594508e-03 -1.56019787e-03 2.11964255e-03] [ 5.03151909e-03 6.58556510e-04 4.16303375e-03] [-5.03151907e-03 6.58556515e-04 -4.16303375e-03] [-5.03151907e-03 -6.58556515e-04 -4.16303375e-03] [ 5.03151909e-03 -6.58556509e-04 4.16303376e-03] [-5.74142653e-02 1.01504077e-01 -1.00108124e-02] [ 5.74142653e-02 1.01504077e-01 1.00108124e-02] [ 5.74142653e-02 -1.01504077e-01 1.00108124e-02] [-5.74142653e-02 -1.01504077e-01 -1.00108124e-02] [ 1.17880899e-02 -1.00948646e-03 1.69831703e-02] [-1.17880899e-02 -1.00948646e-03 -1.69831703e-02] [-1.17880899e-02 1.00948646e-03 -1.69831703e-02] [ 1.17880899e-02 1.00948645e-03 1.69831704e-02]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 4.20139374e-04 1.57055800e-03 -2.00443455e-04 6.19721533e-15 4.83664956e-05 1.18257699e-14] 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 0.0018721034923447426 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpm4k3w9vf | 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=A_mC164_15_e20f --params=25.2768,0.59416936,0.3929097,85.7413,0.50180794,0.44762448,0.10799902,0.13951546,0.53981676,0.75351937,0.18019406,0.77149251,0.87175615,0.14665229,0.25604359,0.22992205,0.24907947,0.67516501,0.77460285,0.36747038,0.60698163,0.31770144,0.79705231,0.31492958,0.042606995,0.10978509,0.14753636,0.93418339,0.29283087,0.1480204,0.067140536,0.16619094,0.092040806,0.04193939,0.98942857,0.69011538,0.91244736,0.2608672,0.67351865,0.22136267,0.10648576,0.63280612,0.10030918,0.22350293,0.36401977,0.033260429,0.90048117,0.56605976,0.61052267,0.48800755,0.55103288,0.90363115,0.10038695,0.23419511,0.11886918,0.091228984,0.53796115,0.25848199,0.30800116,0.47512913,0.34655671,0.99771,0.6063063,0.67565689,0.67119975 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.52768e+01 -3.19903e-07 3.34220e-03] (Cartesian), [-9.99999216e-01 -9.99999259e-01 -8.30609460e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --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=A_mC164_15_e20f --params=25.276818876747633,0.5941682766233592,0.39290920895455456,85.74131213345233,0.49819204279618123,0.552376277711041,0.10799899713222913,0.860483710466218,0.4601840070162315,0.7535193475796759,0.8198051089986478,0.22850825069820546,0.8717561265214735,0.8533468771403332,0.7439571760236268,0.22992203027952282,0.7509197000358871,0.32483575251228647,0.7746028263738705,0.6325287902525054,0.39301912731719635,0.3177014184383365,0.20294686271827467,0.6850711869585961,0.04260697387084057,0.8902140763804349,0.852464399793404,0.9341833643139572,0.7071682986604375,0.8519803619745427,0.06714051493076714,0.8338082287212052,0.9079599564892369,0.04193936867652351,0.010570595387162651,0.30988538698785706,0.9124473341048751,0.7391319675519716,0.3264821074579387,0.2213626494336623,0.8935134049863465,0.3671946405660045,0.10030915595696195,0.7764962366509573,0.6359809890854975,0.03326040730573109,0.09951800056549187,0.43394099751976056,0.6105226445114513,0.511991623980167,0.4489678844322793,0.9036311310315476,0.8996122233230825,0.7658056536053159,0.11886915403691718,0.9087701858518265,0.46203961207002076,0.25848196791082534,0.6919980124514185,0.5248716369985837,0.34655669189447336,0.0022891680471390785,0.39369446057609236,0.6756568639827438,0.32879941945393765 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 4.07728575e-17 -9.82970650e-20] [ 0.00000000e+00 -1.00000000e+00 3.37114989e-18] [ 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 A_mC164_15_e20f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --params=25.276818876747633,0.5941682766233592,0.39290920895455456,85.74131213345233,0.49819204279618123,0.552376277711041,0.10799899713222913,0.860483710466218,0.4601840070162315,0.7535193475796759,0.8198051089986478,0.22850825069820546,0.8717561265214735,0.8533468771403332,0.7439571760236268,0.22992203027952282,0.7509197000358871,0.32483575251228647,0.7746028263738705,0.6325287902525054,0.39301912731719635,0.3177014184383365,0.20294686271827467,0.6850711869585961,0.04260697387084057,0.8902140763804349,0.852464399793404,0.9341833643139572,0.7071682986604375,0.8519803619745427,0.06714051493076714,0.8338082287212052,0.9079599564892369,0.04193936867652351,0.010570595387162651,0.30988538698785706,0.9124473341048751,0.7391319675519716,0.3264821074579387,0.2213626494336623,0.8935134049863465,0.3671946405660045,0.10030915595696195,0.7764962366509573,0.6359809890854975,0.03326040730573109,0.09951800056549187,0.43394099751976056,0.6105226445114513,0.511991623980167,0.4489678844322793,0.9036311310315476,0.8996122233230825,0.7658056536053159,0.11886915403691718,0.9087701858518265,0.46203961207002076,0.25848196791082534,0.6919980124514185,0.5248716369985837,0.34655669189447336,0.0022891680471390785,0.39369446057609236,0.6756568639827438,0.32879941945393765 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --params=25.276818876747633,0.5941682766233592,0.39290920895455456,85.74131213345233,0.49819204279618123,0.552376277711041,0.10799899713222913,0.860483710466218,0.4601840070162315,0.7535193475796759,0.8198051089986478,0.22850825069820546,0.8717561265214735,0.8533468771403332,0.7439571760236268,0.22992203027952282,0.7509197000358871,0.32483575251228647,0.7746028263738705,0.6325287902525054,0.39301912731719635,0.3177014184383365,0.20294686271827467,0.6850711869585961,0.04260697387084057,0.8902140763804349,0.852464399793404,0.9341833643139572,0.7071682986604375,0.8519803619745427,0.06714051493076714,0.8338082287212052,0.9079599564892369,0.04193936867652351,0.010570595387162651,0.30988538698785706,0.9124473341048751,0.7391319675519716,0.3264821074579387,0.2213626494336623,0.8935134049863465,0.3671946405660045,0.10030915595696195,0.7764962366509573,0.6359809890854975,0.03326040730573109,0.09951800056549187,0.43394099751976056,0.6105226445114513,0.511991623980167,0.4489678844322793,0.9036311310315476,0.8996122233230825,0.7658056536053159,0.11886915403691718,0.9087701858518265,0.46203961207002076,0.25848196791082534,0.6919980124514185,0.5248716369985837,0.34655669189447336,0.0022891680471390785,0.39369446057609236,0.6756568639827438,0.32879941945393765 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --params=25.276818876747633,0.5941682766233592,0.39290920895455456,85.74131213345233,0.49819204279618123,0.552376277711041,0.10799899713222913,0.860483710466218,0.4601840070162315,0.7535193475796759,0.8198051089986478,0.22850825069820546,0.8717561265214735,0.8533468771403332,0.7439571760236268,0.22992203027952282,0.7509197000358871,0.32483575251228647,0.7746028263738705,0.6325287902525054,0.39301912731719635,0.3177014184383365,0.20294686271827467,0.6850711869585961,0.04260697387084057,0.8902140763804349,0.852464399793404,0.9341833643139572,0.7071682986604375,0.8519803619745427,0.06714051493076714,0.8338082287212052,0.9079599564892369,0.04193936867652351,0.010570595387162651,0.30988538698785706,0.9124473341048751,0.7391319675519716,0.3264821074579387,0.2213626494336623,0.8935134049863465,0.3671946405660045,0.10030915595696195,0.7764962366509573,0.6359809890854975,0.03326040730573109,0.09951800056549187,0.43394099751976056,0.6105226445114513,0.511991623980167,0.4489678844322793,0.9036311310315476,0.8996122233230825,0.7658056536053159,0.11886915403691718,0.9087701858518265,0.46203961207002076,0.25848196791082534,0.6919980124514185,0.5248716369985837,0.34655669189447336,0.0022891680471390785,0.39369446057609236,0.6756568639827438,0.32879941945393765 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f 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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=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1giwpj4f --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=A_mC164_15_e20f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC164_15_e20f 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--webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2_mr648f --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.