INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=14.0669,1.2555645,0.36251768,0.65380127,0.076896279,0.69604197,0.5771532,0.72626998,0.27567464,0.62365751,0.77482174,0.72757319,0.98080995,0.54113515,0.77204815,0.12088756,0.68234935,0.59305535,0.071862971,0.72132696,0.72895015,0.25693278,0.87809698,0.59318281,0.27843408,0.22910884,0.70459424,0.048861868,0.7462678,0.29456277,0.71077861,0.66944199 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.9340559587128895 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_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=14.0669,1.2555645,0.36251768,0.65380127,0.076896279,0.69604197,0.5771532,0.72626998,0.27567464,0.62365751,0.77482174,0.72757319,0.98080995,0.54113515,0.77204815,0.12088756,0.68234935,0.59305535,0.071862971,0.72132696,0.72895015,0.25693278,0.87809698,0.59318281,0.27843408,0.22910884,0.70459424,0.048861868,0.7462678,0.29456277,0.71077861,0.66944199 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 50 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:Automatically set max fractional residual for solving position equations to 0.0018932585694835604 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpor84vte7 | 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_oC72_36_2a5b_2a2b --params=13.9642,1.242778,0.3593618,0.65178688,0.08950529,0.30208886,0.091122726,0.72543459,0.2854452,0.37627493,0.2837897,0.40537736,0.27531036,0.22674028,0.27276098,0.25841585,0.85572774,0.40528748,0.07426535,0.72303159,0.77163542,0.87936269,0.17596807,0.2748504,0.9779816,0.55580657,0.7053134,0.28887994,0.15259442,0.29509572,0.048871354,0.75519988 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.29973e-05 -4.58733e-08 -2.48496e-05] (Cartesian), [-9.28117447e-07 -9.33404095e-07 -4.95194133e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --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_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.15950778e-07 -9.99999572e-01 0.00000000e+00] [-9.99999621e-01 1.15950778e-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: [[0.0, -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 A2B_oC72_36_2a5b_2a2b that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=13.964168244440845,1.2427807535640634,0.3593592591447633,0.6517868730473019,0.08950033765461107,0.30208885868660496,0.09111777395091658,0.72543458331855,0.28544024703384663,0.37627492858313805,0.28378474532068965,0.5946217099429785,0.27531035505343654,0.2267353265227796,0.7272380888127425,0.2584158484842021,0.855722792235877,0.5947115915971082,0.07426534707645725,0.7230266343103324,0.2283636447652575,0.8793626914586784,0.17596311702101852,0.7251486677596148,0.9779815939058576,0.5558016176925851,0.2946856652262455,0.2888799416652323,0.15258946668976647,0.7049033537257985,0.04887135126596,0.7551949255758017 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=14.1557,1.2501819,0.36594446,0.66018274,0.38902952,0.68950304,0.88944865,0.72727407,0.17510359,0.62259511,0.67482077,0.72861335,0.98472657,0.50349747,0.76846371,0.12257334,0.6647878,0.592348,0.069434709,0.70638341,0.24578123,0.76372163,0.49500808,0.59221949,0.28071631,0.20777804,0.70402684,0.048424607,0.71906753,0.29379793,0.71065653,0.7142764 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.9238385507099822 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_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --params=14.1557,1.2501819,0.36594446,0.66018274,0.38902952,0.68950304,0.88944865,0.72727407,0.17510359,0.62259511,0.67482077,0.72861335,0.98472657,0.50349747,0.76846371,0.12257334,0.6647878,0.592348,0.069434709,0.70638341,0.24578123,0.76372163,0.49500808,0.59221949,0.28071631,0.20777804,0.70402684,0.048424607,0.71906753,0.29379793,0.71065653,0.7142764 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 51 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:Automatically set max fractional residual for solving position equations to 0.0018905504044675152 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpwjbis42x | 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_oC72_36_2a5b_2a2b --params=14.0599,1.2279817,0.35631121,0.65079841,0.33344368,0.30224498,0.33191871,0.72523413,0.13854287,0.3773073,0.1396137,0.40656304,0.27585301,0.19966392,0.76205354,0.76925164,0.53584135,0.40650889,0.072739241,0.70450356,0.76702099,0.87628033,0.16277423,0.2744934,0.97923175,0.5321016,0.70586143,0.28829118,0.23432966,0.2963703,0.049190373,0.7340262 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.40599e+01 -1.63739e-06 -5.00968e+00] (Cartesian), [-0.99999726 -0.99999745 -0.99998814] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --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_oC72_36_2a5b_2a2b --params=14.059937205582292,1.2279760177512107,0.35631307057770834,0.6507983103865594,0.33345554053980186,0.30224488135796224,0.3319305661447238,0.725234032164075,0.1385547279497641,0.3773072085863285,0.13962555444195912,0.593439607001037,0.27585291865794326,0.1996757791615329,0.23794910695518356,0.7692515499848211,0.5358532043721616,0.5934937524958761,0.07273914609173575,0.7045154135849707,0.23298165602962895,0.8762802322448846,0.16278608629767888,0.7255092483297549,0.9792316544576143,0.5321134541107613,0.2941412191140165,0.2882910849468484,0.23434151598767183,0.7036323470034906,0.04919027800320602,0.7340380552236643 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -5.20672212e-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 A2B_oC72_36_2a5b_2a2b that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b 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--params=14.059937205582292,1.2279760177512107,0.35631307057770834,0.6507983103865594,0.33345554053980186,0.30224488135796224,0.3319305661447238,0.725234032164075,0.1385547279497641,0.3773072085863285,0.13962555444195912,0.593439607001037,0.27585291865794326,0.1996757791615329,0.23794910695518356,0.7692515499848211,0.5358532043721616,0.5934937524958761,0.07273914609173575,0.7045154135849707,0.23298165602962895,0.8762802322448846,0.16278608629767888,0.7255092483297549,0.9792316544576143,0.5321134541107613,0.2941412191140165,0.2882910849468484,0.23434151598767183,0.7036323470034906,0.04919027800320602,0.7340380552236643 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B_oC72_36_2a5b_2a2b --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 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