INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.389419332618425,0.42353550717904814,0.42812705608549323,80.36843556593132,0.44882707675371214,0.6203604580266917,0.8106750704160925,0.910564910948042,0.09460520869147948,0.045600321954753276,0.6095333126537392,0.7153871713959943,0.12139703638877383,0.7146086369302351 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.0004111712022235245 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=A2B5_mC28_15_f_e2f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.389419332618425,0.42353550717904814,0.42812705608549323,80.36843556593132,0.44882707675371214,0.6203604580266917,0.8106750704160925,0.910564910948042,0.09460520869147948,0.045600321954753276,0.6095333126537392,0.7153871713959943,0.12139703638877383,0.7146086369302351 --webpage 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 0.0038709799744284655 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3793,0.42364645,0.42829524,80.3645,0.55127338,0.87972103,0.31053329,0.089325219,0.90544592,0.046062468,0.39097798,0.78460403,0.62154579,0.2852001 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07724e-01 -3.32609e-07 -2.40249e+00] (Cartesian), [-8.30483692e-07 -9.68473796e-07 -4.99996257e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.379281228120302,0.42364415587136,0.4282973759473989,80.36449957197033,0.5512733112292482,0.6202780701637607,0.18946664499441068,0.9106785243567448,0.09455318476265484,0.9539374626235337,0.6090257615763683,0.7153950708138954,0.8784541377570791,0.7148036418942387 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.54679856e-16 1.04375885e-17] [ 0.00000000e+00 -1.00000000e+00 1.04375885e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.379281228120302,0.42364415587136,0.4282973759473989,80.36449957197033,0.5512733112292482,0.6202780701637607,0.18946664499441068,0.9106785243567448,0.09455318476265484,0.9539374626235337,0.6090257615763683,0.7153950708138954,0.8784541377570791,0.7148036418942387 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 0.0038709909886729434 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.378,0.42365969,0.42831781,80.364,0.55128583,0.87973132,0.31051549,0.089311104,0.90545237,0.046119603,0.39104025,0.78460323,0.62156342,0.28517637 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17857e+01 -5.69061e-08 -2.40321e+00] (Cartesian), [-0.99999757 -0.9999976 -0.49999478] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.378039323872622,0.4236576488201216,0.42831859488152657,80.36402046583736,0.551285813944139,0.6202711000138283,0.18948449972310263,0.9106941193670774,0.09455004187776717,0.9538803848220535,0.6089649754707704,0.7153991822008425,0.8784365655943746,0.7148288510492171 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.96163150e-07 9.99999795e-01 -3.59385662e-08] [ 1.00000021e+00 2.96163150e-07 3.60708409e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.378039323872622,0.4236576488201216,0.42831859488152657,80.36402046583736,0.551285813944139,0.6202711000138283,0.18948449972310263,0.9106941193670774,0.09455004187776717,0.9538803848220535,0.6089649754707704,0.7153991822008425,0.8784365655943746,0.7148288510492171 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 0.003871002702527025 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3766,0.42367667,0.42834414,80.3635,0.55129961,0.87974293,0.31049541,0.089295224,0.90545962,0.046183973,0.39111039,0.78460234,0.62158321,0.28514983 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17842e+01 -2.74984e-07 -2.40318e+00] (Cartesian), [-0.99999024 -0.99999035 -0.49999883] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.376645537329221,0.4236727009682451,0.4283425750753482,80.36345194876694,0.5512995479880762,0.6202667773321515,0.1895045337540477,0.9107059437193796,0.09455008041507007,0.9538159695262317,0.608890772676181,0.7154073588531416,0.8784167297602372,0.7148513363038604 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.04500284e-16 -5.97893446e-18] [ 0.00000000e+00 1.00000000e+00 1.90236673e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.376645537329221,0.4236727009682451,0.4283425750753482,80.36345194876694,0.5512995479880762,0.6202667773321515,0.1895045337540477,0.9107059437193796,0.09455008041507007,0.9538159695262317,0.608890772676181,0.7154073588531416,0.8784167297602372,0.7148513363038604 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 0.003871015867821261 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3751,0.42368858,0.42836546,80.3628,0.551315,0.87975602,0.31047267,0.089277321,0.90546774,0.046256447,0.39118917,0.78460138,0.62160514,0.2851202 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07645e-01 -3.44074e-08 -2.40199e+00] (Cartesian), [-1.31410890e-06 -1.32838730e-06 -4.99992431e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.375079310352524,0.42368972504710967,0.428369727714463,80.36280725987574,0.5513149941039025,0.37975469414775764,0.8104726641321082,0.08928488984948268,0.9054664206699723,0.046256439596868086,0.3911967441502715,0.28460006011167893,0.12160513538960395,0.2851277738267959 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.30614513e-18 -2.56312736e-17] [ 0.00000000e+00 1.00000000e+00 -6.17479933e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.375079310352524,0.42368972504710967,0.428369727714463,80.36280725987574,0.5513149941039025,0.37975469414775764,0.8104726641321082,0.08928488984948268,0.9054664206699723,0.046256439596868086,0.3911967441502715,0.28460006011167893,0.12160513538960395,0.2851277738267959 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 0.003871030931435076 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3733,0.42371168,0.42839809,80.3621,0.5513321,0.87977076,0.31044699,0.08925713,0.90547683,0.046338101,0.39127772,0.78460031,0.6216296,0.28508703 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17809e+01 2.21908e-07 -2.40303e+00] (Cartesian), [-0.99999854 -0.99999845 -0.49999073] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.373321609931649,0.4237088518550552,0.42840038508683476,80.36207314308359,0.55133214507737,0.3797722627804281,0.810447032856509,0.08926639625138622,0.9054783362760539,0.04633814752154215,0.39128699110817555,0.2846018166901543,0.1216296428315582,0.28509629359977784 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-4.58869818e-07 -1.00000030e+00 -5.41348287e-08] [-9.99999658e-01 4.58869818e-07 5.74747796e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.373321609931649,0.4237088518550552,0.42840038508683476,80.36207314308359,0.55133214507737,0.3797722627804281,0.810447032856509,0.08926639625138622,0.9054783362760539,0.04633814752154215,0.39128699110817555,0.2846018166901543,0.1216296428315582,0.28509629359977784 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 0.0038710480825175078 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3714,0.42372971,0.42843449,80.3612,0.55135159,0.87978733,0.31041795,0.089234576,0.90548702,0.046430022,0.39137736,0.78459914,0.6216568,0.28505 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07592e-01 -1.30779e-07 -2.40162e+00] (Cartesian), [-1.99614513e-06 -2.05042845e-06 -5.00003394e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.371350016168362,0.4237303500503922,0.4284348650739759,80.36124379072342,0.5513515671270871,0.6202106469662005,0.18958202517077022,0.910762029538823,0.09451095990820502,0.9535699508893725,0.6086192501172221,0.7153988411096,0.8783431746163342,0.7149466035243219 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -6.90253101e-17 -1.70147920e-17] [ 0.00000000e+00 1.00000000e+00 1.07407836e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.371350016168362,0.4237303500503922,0.4284348650739759,80.36124379072342,0.5513515671270871,0.6202106469662005,0.18958202517077022,0.910762029538823,0.09451095990820502,0.9535699508893725,0.6086192501172221,0.7153988411096,0.8783431746163342,0.7149466035243219 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 0.0038710672044056896 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3691,0.42375386,0.42847719,80.3603,0.5513732,0.87980603,0.31038504,0.08920915,0.90549843,0.046533672,0.3914895,0.78459786,0.62168693,0.28500874 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.13691e+01 -2.60397e-07 -1.60995e-03] (Cartesian), [-9.99996677e-01 -9.99996786e-01 -4.22862274e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.3691338250245,0.4237546430124238,0.42847404041991144,80.36029355209696,0.448626742420441,0.6201972365645989,0.8103849855564864,0.910786621319714,0.09450483677177779,0.046533618134050825,0.6085062689166096,0.7154054108839005,0.12168687876188053,0.7149870362185646 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.90178773e-16 6.41961949e-18] [0.00000000e+00 1.00000000e+00 8.73007624e-19] [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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3691338250245,0.4237546430124238,0.42847404041991144,80.36029355209696,0.448626742420441,0.6201972365645989,0.8103849855564864,0.910786621319714,0.09450483677177779,0.046533618134050825,0.6085062689166096,0.7154054108839005,0.12168687876188053,0.7149870362185646 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 0.003871088296199783 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3666,0.42378548,0.42851864,80.3592,0.55139734,0.87982715,0.31034773,0.08918057,0.90551121,0.046650547,0.39161574,0.78459642,0.62172036,0.28496272 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17741e+01 -2.06571e-07 -2.40286e+00] (Cartesian), [-0.99999778 -0.99999787 -0.49999705] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.366647282683795,0.4237819258124386,0.4285182941580829,80.3592074712792,0.5513972978286503,0.6201750214074657,0.18965222909357174,0.910822382561099,0.09449096451240635,0.9533494099759473,0.6083872101909662,0.7154057552655979,0.8782795994645529,0.7150402339924531 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.70166141e-16 1.24685435e-17] [ 0.00000000e+00 1.00000000e+00 -1.40924430e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.366647282683795,0.4237819258124386,0.4285182941580829,80.3592074712792,0.5513972978286503,0.6201750214074657,0.18965222909357174,0.910822382561099,0.09449096451240635,0.9533494099759473,0.6083872101909662,0.7154057552655979,0.8782795994645529,0.7150402339924531 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 0.0038711125332015163 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3639,0.42380697,0.42856766,80.358,0.55142453,0.87985096,0.31030533,0.089148417,0.9055255,0.046782485,0.39175787,0.78459488,0.62175729,0.28491147 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.98928e-05 -4.98453e-07 -3.19924e-06] (Cartesian), [-1.59931090e-06 -1.80630337e-06 -6.65574339e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.363853557960416,0.423812774575414,0.4285685084111458,80.35796863483681,0.44857536651835606,0.6201473357031411,0.8103052281990006,0.9108509174130126,0.09447279247801021,0.04678238115423601,0.6082414659733453,0.715403422024069,0.12175718588002318,0.7150878685630442 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.50463194e-16 -2.84891401e-18] [ 0.00000000e+00 1.00000000e+00 -2.84891401e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.363853557960416,0.423812774575414,0.4285685084111458,80.35796863483681,0.44857536651835606,0.6201473357031411,0.8103052281990006,0.9108509174130126,0.09447279247801021,0.04678238115423601,0.6082414659733453,0.715403422024069,0.12175718588002318,0.7150878685630442 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 0.003871139885404113 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3607,0.42384712,0.42862676,80.3566,0.55145497,0.87987786,0.31025711,0.089112239,0.90554151,0.046931499,0.39191802,0.7845932,0.62179804,0.28485443 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17681e+01 1.35222e-07 -2.40273e+00] (Cartesian), [-1.00000094 -1.00000088 -0.50000116] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.360715147647207,0.4238476460945906,0.42862550758665663,80.35655255782179,0.5514549942442082,0.6201212271776098,0.18974291774250604,0.9108865992247834,0.09445758417216621,0.9530685288981194,0.608080820436079,0.7154058946548547,0.8782019878020942,0.7151444041749098 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 4.84932800e-17 9.53958572e-18] [ 0.00000000e+00 -1.00000000e+00 -7.11612903e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.360715147647207,0.4238476460945906,0.42862550758665663,80.35655255782179,0.5514549942442082,0.6201212271776098,0.18974291774250604,0.9108865992247834,0.09445758417216621,0.9530685288981194,0.608080820436079,0.7154058946548547,0.8782019878020942,0.7151444041749098 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 0.0038711706530311523 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3572,0.42388969,0.42868841,80.3549,0.55148904,0.87990828,0.31020216,0.089071491,0.9055594,0.047099995,0.39209854,0.78459138,0.62184283,0.2847911 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.14630e-01 -3.62323e-07 -4.80006e+00] (Cartesian), [-7.44639302e-07 -8.95163016e-07 -9.99995230e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.35718979603597,0.4238869940433476,0.4286903250026483,80.35492259539159,0.44851088232968217,0.3799074585183848,0.1897977678508944,0.08907626081560482,0.9055585837854587,0.9528999299676897,0.39210330858039444,0.28459056347539224,0.8781570950522374,0.28479587041966403 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.13278671e-17 9.37951284e-18] [ 0.00000000e+00 -1.00000000e+00 -1.72217493e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.35718979603597,0.4238869940433476,0.4286903250026483,80.35492259539159,0.44851088232968217,0.3799074585183848,0.1897977678508944,0.08907626081560482,0.9055585837854587,0.9528999299676897,0.39210330858039444,0.28459056347539224,0.8781570950522374,0.28479587041966403 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 0.0038712053282028655 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3532,0.42393334,0.42876898,80.353,0.55152718,0.87994272,0.31013941,0.089025577,0.90557942,0.047290698,0.39230221,0.78458943,0.62189193,0.28472084 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17604e+01 1.14934e-07 -2.40264e+00] (Cartesian), [-0.99999269 -0.99999264 -0.50001358] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.353228103922616,0.4239315307048342,0.4287641441422799,80.35304707357093,0.5515272015233768,0.37995005211394317,0.8101394357021237,0.08901200205803916,0.9055867549735113,0.04729072226155365,0.39228863228164323,0.284596766038127,0.12189194930230857,0.2847072628725229 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.94627257e-16 7.77455333e-18] [ 0.00000000e+00 -1.00000000e+00 -1.72088614e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.353228103922616,0.4239315307048342,0.4287641441422799,80.35304707357093,0.5515272015233768,0.37995005211394317,0.8101394357021237,0.08901200205803916,0.9055867549735113,0.04729072226155365,0.39228863228164323,0.284596766038127,0.12189194930230857,0.2847072628725229 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 0.003871244380752607 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3488,0.42398315,0.4288471,80.3509,0.55156985,0.87998177,0.31006761,0.088973799,0.9056018,0.047506808,0.39253216,0.78458735,0.62194549,0.28464305 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07180e-01 -2.46469e-07 -2.39914e+00] (Cartesian), [-9.16700126e-07 -1.01914634e-06 -4.99998777e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.348774975498907,0.4239819816429026,0.428848388690269,80.3508813427838,0.5515697949612406,0.6200172616356465,0.1899323413445643,0.9110274244973506,0.09439723079066797,0.9524931409738088,0.6074690618649865,0.7154116848480725,0.8780544568991847,0.7153581698779383 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.51238639e-07 9.99999963e-01 1.54181483e-08] [ 9.99999614e-01 -2.51238639e-07 -4.58121627e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.348774975498907,0.4239819816429026,0.428848388690269,80.3508813427838,0.5515697949612406,0.6200172616356465,0.1899323413445643,0.9110274244973506,0.09439723079066797,0.9524931409738088,0.6074690618649865,0.7154116848480725,0.8780544568991847,0.7153581698779383 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 0.003871288350035051 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3438,0.4240378,0.42893916,80.3484,0.55161763,0.88002614,0.3099852,0.088915354,0.90562682,0.047752112,0.39279211,0.78458513,0.6220036,0.28455715 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.14188e-01 7.36563e-08 -4.79717e+00] (Cartesian), [-2.19875622e-06 -2.16813119e-06 -9.99983287e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.343766665062468,0.42403926297962624,0.4289447960679334,80.34837601841494,0.44838238325005975,0.38002395831511615,0.1900148200421153,0.08893206729317127,0.9056246360900533,0.9522479034343263,0.39280882545241425,0.28458294704625486,0.8779964125713486,0.2845738620871139 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.90961044e-17 -3.38572593e-18] [ 0.00000000e+00 -1.00000000e+00 -3.11150674e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.343766665062468,0.42403926297962624,0.4289447960679334,80.34837601841494,0.44838238325005975,0.38002395831511615,0.1900148200421153,0.08893206729317127,0.9056246360900533,0.9522479034343263,0.39280882545241425,0.28458294704625486,0.8779964125713486,0.2845738620871139 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 0.0038713378348874763 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3381,0.42410986,0.42905778,80.3454,0.55167093,0.88007658,0.30989045,0.088849297,0.90565475,0.048030789,0.39308596,0.78458282,0.62206643,0.28446242 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17451e+01 -5.99307e-07 -2.40244e+00] (Cartesian), [-0.9999964 -0.99999665 -0.50000602] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.338135327163274,0.4241042159432386,0.42905522413627906,80.34544050379499,0.5516708102053303,0.6199268921680223,0.19010942184993043,0.911144679567087,0.09434872260881022,0.9519690859009278,0.6069080213659712,0.7154206535703318,0.8779334428857019,0.7155315572446226 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.82192449e-16 -2.99317362e-17] [ 0.00000000e+00 -1.00000000e+00 1.17016272e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.338135327163274,0.4241042159432386,0.42905522413627906,80.34544050379499,0.5516708102053303,0.6199268921680223,0.19010942184993043,0.911144679567087,0.09434872260881022,0.9519690859009278,0.6069080213659712,0.7154206535703318,0.8779334428857019,0.7155315572446226 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 0.003871393819768908 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3318,0.42417798,0.4291816,80.3419,0.55173044,0.88013421,0.30978077,0.088774332,0.90568589,0.04834873,0.39341927,0.78458042,0.62213319,0.28435854 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.06910e-01 -2.95633e-09 -2.39741e+00] (Cartesian), [-4.79106881e-07 -4.80336967e-07 -4.99998677e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.331792770976188,0.4241785747364272,0.42918231984723043,80.3419410551005,0.5517304399316146,0.6198653138508035,0.19021922462708984,0.9112269906889099,0.09431362914454855,0.9516512696021209,0.606582054356068,0.7154191042363571,0.8778668081162977,0.7156427809821713 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -4.27977824e-17 -3.22851276e-17] [ 0.00000000e+00 1.00000000e+00 -1.77316716e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.331792770976188,0.4241785747364272,0.42918231984723043,80.3419410551005,0.5517304399316146,0.6198653138508035,0.19021922462708984,0.9112269906889099,0.09431362914454855,0.9516512696021209,0.606582054356068,0.7154191042363571,0.8778668081162977,0.7156427809821713 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 0.0038714562441779033 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3246,0.42426223,0.42933084,80.3379,0.55179716,0.88020011,0.30965373,0.08868953,0.90572074,0.0487116,0.39379756,0.78457791,0.62220389,0.28424497 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.13246e+01 -3.54640e-07 -5.72230e-03] (Cartesian), [-9.99995763e-01 -9.99995911e-01 -2.09178534e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.324646880476216,0.42426329680884994,0.4293291950025736,80.33793984974555,0.44820276146139304,0.6198040552287047,0.8096536584577786,0.9113083784706302,0.09428342449631266,0.048711526108306924,0.6062003475202911,0.7154262570970271,0.12220381477268279,0.7157529397559224 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.51029580e-16 -5.60341829e-17] [ 0.00000000e+00 -1.00000000e+00 -2.82786073e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.324646880476216,0.42426329680884994,0.4293291950025736,80.33793984974555,0.44820276146139304,0.6198040552287047,0.8096536584577786,0.9113083784706302,0.09428342449631266,0.048711526108306924,0.6062003475202911,0.7154262570970271,0.12220381477268279,0.7157529397559224 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 0.0038715262998522027 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3166,0.42435891,0.42950179,80.3332,0.55187178,0.88027581,0.30950566,0.08859313,0.90575965,0.049127356,0.39422799,0.78457533,0.62227733,0.28412151 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.06703e-01 -1.05097e-07 -2.39600e+00] (Cartesian), [-4.65835250e-07 -5.09604585e-07 -5.00007591e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.316585332529087,0.42436050469279624,0.4294996023479995,80.33323377734246,0.5518717573879909,0.3802753270905119,0.8095056418487558,0.08858553836286975,0.9057591635521052,0.049127334076138306,0.39422039537126974,0.2845748464733835,0.122277310838925,0.28411391478936876 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-4.92667168e-07 -1.00000039e+00 -6.35660112e-08] [-9.99999704e-01 4.92667168e-07 5.68711424e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.316585332529087,0.42436050469279624,0.4294996023479995,80.33323377734246,0.5518717573879909,0.3802753270905119,0.8095056418487558,0.08858553836286975,0.9057591635521052,0.049127334076138306,0.39422039537126974,0.2845748464733835,0.122277310838925,0.28411391478936876 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 0.003871604399345318 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3075,0.42447048,0.4296971,80.3277,0.55195522,0.88036319,0.30933203,0.088483226,0.9058031,0.049605541,0.39471914,0.78457272,0.62235173,0.28398833 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.13156e-01 -1.43663e-07 -4.79027e+00] (Cartesian), [-7.55905000e-07 -8.15768156e-07 -9.99998115e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.307476547068891,0.4244725601156325,0.4296984171271677,80.32765078300842,0.44804475451337356,0.6196360238883982,0.8093320021972769,0.9115186585127804,0.09419611066305311,0.04960551089738746,0.6052827441614754,0.7154264907936225,0.12235170424859679,0.716013551572708 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.87690361e-08 -9.99999825e-01 1.12586878e-08] [-9.99999799e-01 1.87690362e-08 1.58513361e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.307476547068891,0.4244725601156325,0.4296984171271677,80.32765078300842,0.44804475451337356,0.6196360238883982,0.8093320021972769,0.9115186585127804,0.09419611066305311,0.04960551089738746,0.6052827441614754,0.7154264907936225,0.12235170424859679,0.716013551572708 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 0.0038716917126311056 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2972,0.42460079,0.42992954,80.3211,0.55204864,0.88046464,0.30912711,0.088357469,0.90585169,0.050158098,0.39528147,0.78457009,0.62242467,0.28384607 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.12915e-01 -2.31792e-08 -4.78848e+00] (Cartesian), [-1.51613207e-06 -1.52579651e-06 -9.99995553e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.297164705679837,0.4246022557793638,0.4299318331809269,80.3210767108375,0.4479513529031225,0.6195338372281911,0.8091271047688342,0.911646977590286,0.09414679328148479,0.05015809332651043,0.6047229744339253,0.7154283860540231,0.12242466462963539,0.7161583789048653 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.56157068e-16 2.49965391e-18] [ 0.00000000e+00 1.00000000e+00 -3.39014406e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.297164705679837,0.4246022557793638,0.4299318331809269,80.3210767108375,0.4479513529031225,0.6195338372281911,0.8091271047688342,0.911646977590286,0.09414679328148479,0.05015809332651043,0.6047229744339253,0.7154283860540231,0.12242466462963539,0.7161583789048653 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 0.0038717871290898237 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2855,0.42474857,0.4302069,80.3132,0.55215332,0.88058331,0.30888295,0.088212677,0.90590598,0.050800734,0.3959286,0.78456741,0.62249141,0.28369637 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.91212e-05 -4.39710e-07 -2.58899e-07] (Cartesian), [-1.59895522e-06 -1.78241474e-06 -5.05219261e-08] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.285456111623356,0.424753504842348,0.43020827327934075,80.31319772699023,0.44784659270832994,0.619414996311116,0.808882860889461,0.9117872722942879,0.09409232607218643,0.050800641922476686,0.6040713528703119,0.7154309026768497,0.12249131662224541,0.7163035768037793 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.97075222e-17 4.24935330e-18] [ 0.00000000e+00 1.00000000e+00 7.09842576e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.285456111623356,0.424753504842348,0.43020827327934075,80.31319772699023,0.44784659270832994,0.619414996311116,0.808882860889461,0.9117872722942879,0.09409232607218643,0.050800641922476686,0.6040713528703119,0.7154309026768497,0.12249131662224541,0.7163035768037793 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 0.0038718914946274485 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2721,0.42493413,0.43054089,80.3037,0.55227074,0.88072357,0.3085888,0.088044822,0.90596681,0.051554162,0.39667786,0.78456462,0.62254518,0.28354242 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.16783e+01 2.82841e-07 -2.40408e+00] (Cartesian), [-1.00000004 -0.99999992 -0.50000368] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.27210639056083,0.4249317573248895,0.4305390649964151,80.30367926158591,0.5522708004155197,0.380723589454246,0.8085888563678245,0.08804114286681575,0.9059668309054865,0.05155422065157415,0.3966741818927444,0.2845646333681864,0.12254523441062391,0.2835387365670603 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 5.73800853e-18 1.20471044e-17] [ 0.00000000e+00 1.00000000e+00 -1.57084712e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.27210639056083,0.4249317573248895,0.4305390649964151,80.30367926158591,0.5522708004155197,0.380723589454246,0.8085888563678245,0.08804114286681575,0.9059668309054865,0.05155422065157415,0.3966741818927444,0.2845646333681864,0.12254523441062391,0.2835387365670603 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 0.0038720039087887822 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2568,0.42514747,0.43093952,80.292,0.55240292,0.88089156,0.3082291,0.087848022,0.90603504,0.052447471,0.3975529,0.78456158,0.62257457,0.2833899 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.12154e-01 -4.55101e-07 -4.78253e+00] (Cartesian), [-2.58202857e-08 -2.16009716e-07 -9.99998116e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.25679657408764,0.42514452429555416,0.43094031838173197,80.29197598227968,0.4475969838399195,0.38089143438773876,0.19177080509415645,0.08784990562979322,0.9060349205117986,0.9475524341483512,0.39755478047947523,0.2845614575557902,0.8774253312164391,0.28339178852005453 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.72074210e-07 1.00000041e+00 1.72374698e-08] [ 1.00000065e+00 1.72074210e-07 5.95982482e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.25679657408764,0.42514452429555416,0.43094031838173197,80.29197598227968,0.4475969838399195,0.38089143438773876,0.19177080509415645,0.08784990562979322,0.9060349205117986,0.9475524341483512,0.39755478047947523,0.2845614575557902,0.8774253312164391,0.28339178852005453 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 0.0038721191131355862 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2391,0.42539883,0.43144024,80.2777,0.55255315,0.8810967,0.30778056,0.08761431,0.90611219,0.053523179,0.39858839,0.78455775,0.62256079,0.28324962 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.05985e-01 -4.70220e-07 -2.39029e+00] (Cartesian), [-8.17230571e-07 -1.01392876e-06 -5.00009136e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.239073038350126,0.42540270058678453,0.4314371139865459,80.27769215426929,0.552553052548852,0.3810957854339505,0.8077804581954231,0.08760517367274545,0.906111276554308,0.05352308038575716,0.3985792494938547,0.28455683467926907,0.12256069608700138,0.2832404890636324 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.86757457e-08 -1.00000033e+00 -3.13184354e-08] [-1.00000019e+00 9.86757457e-08 -6.96778457e-09] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.239073038350126,0.42540270058678453,0.4314371139865459,80.27769215426929,0.552553052548852,0.3810957854339505,0.8077804581954231,0.08760517367274545,0.906111276554308,0.05352308038575716,0.3985792494938547,0.28455683467926907,0.12256069608700138,0.2832404890636324 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 0.0038722305922779788 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.2183,0.42572404,0.43207081,80.2597,0.55272467,0.881354,0.30720513,0.087329714,0.90620003,0.054848574,0.39983588,0.78455221,0.62247041,0.28314107 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.05902e-01 1.35562e-07 -2.38934e+00] (Cartesian), [-1.02880562e-06 -9.72036294e-07 -5.00008407e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.218272861491105,0.42572410513043096,0.43206820788703976,80.25971778707819,0.5527247005477646,0.381352998649489,0.8072051564607686,0.08732130762904866,0.9061990271040286,0.0548486019561763,0.3998274702010216,0.2845512053385968,0.12247043735568307,0.28313265930121734 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.00776905e-16 -5.74039623e-18] [ 0.00000000e+00 -1.00000000e+00 1.10316689e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.218272861491105,0.42572410513043096,0.43206820788703976,80.25971778707819,0.5527247005477646,0.381352998649489,0.8072051564607686,0.08732130762904866,0.9061990271040286,0.0548486019561763,0.3998274702010216,0.2845512053385968,0.12247043735568307,0.28313265930121734 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 0.003872318156135429 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.1932,0.42614266,0.43290569,80.2366,0.55292614,0.881692,0.30643127,0.086969851,0.90630199,0.056548438,0.40139083,0.78454274,0.62223684,0.28310618 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.20049e+01 -1.97101e-07 -4.80061e+00] (Cartesian), [-1.00000285 -1.00000293 -0.99998822] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.19320651279486,0.4261410086628836,0.43290848634961543,80.23659440225526,0.4470738222343642,0.3816891086981331,0.19356869271194288,0.08698163054817587,0.9062991037957622,0.9434515210630633,0.40140260721952625,0.28453985212111066,0.8777631144596857,0.28311795674890905 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.36998489e-16 1.44914315e-17] [ 0.00000000e+00 -1.00000000e+00 -2.07674557e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.19320651279486,0.4261410086628836,0.43290848634961543,80.23659440225526,0.4470738222343642,0.3816891086981331,0.19356869271194288,0.08698163054817587,0.9062991037957622,0.9434515210630633,0.40140260721952625,0.28453985212111066,0.8777631144596857,0.28311795674890905 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 0.0038723253816727162 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.1609,0.42673978,0.43414958,80.2037,0.55317705,0.88218598,0.30526859,0.086466786,0.90642608,0.058955555,0.40350431,0.78452376,0.62168224,0.2832567 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.11866e-01 -3.85014e-07 -4.77699e+00] (Cartesian), [-4.82252308e-07 -6.43928643e-07 -9.99990799e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.160896790019066,0.4267376560312234,0.4341525790062216,80.2037078159493,0.4468228719085109,0.3821854163221696,0.19473133128256206,0.08647598728072614,0.9064255178605847,0.9410443637267597,0.4035135112366115,0.28452319785311464,0.8783176833512119,0.2832659033401148 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.86387943e-16 -1.56430969e-17] [ 0.00000000e+00 -1.00000000e+00 1.50187703e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.160896790019066,0.4267376560312234,0.4341525790062216,80.2037078159493,0.4468228719085109,0.3821854163221696,0.19473133128256206,0.08647598728072614,0.9064255178605847,0.9410443637267597,0.4035135112366115,0.28452319785311464,0.8783176833512119,0.2832659033401148 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 0.0038692665014020185 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.8434,0.4357766,0.45581644,80.123,0.55778142,0.88992002,0.28093535,0.078393931,0.9080003,0.096463223,0.42566362,0.78288048,0.59350197,0.30205746 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.11275e-01 -1.17936e-06 -4.87555e+00] (Cartesian), [-1.78312511e-06 -2.28228943e-06 -9.99991920e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.843364972871612,0.4357814920398001,0.455819943374804,80.12301182196374,0.44221833189754156,0.38991798600634864,0.21906439930070834,0.07840201086652043,0.40799826544975626,0.40353652786900235,0.42567169835328045,0.2828784432030895,0.9064977845937243,0.30206554333116387 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 3.34676701e-17 1.35769255e-17] [ 0.00000000e+00 -1.00000000e+00 -2.02110742e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.843364972871612,0.4357814920398001,0.455819943374804,80.12301182196374,0.44221833189754156,0.38991798600634864,0.21906439930070834,0.07840201086652043,0.40799826544975626,0.40353652786900235,0.42567169835328045,0.2828784432030895,0.9064977845937243,0.30206554333116387 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 0.0038704275133154896 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.8245,0.43596471,0.45620583,80.1245,0.55810557,0.89000849,0.28042104,0.078258248,0.9080848,0.097326228,0.42609903,0.78282213,0.5930898,0.30218065 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.10131e-01 1.59515e-07 -4.87127e+00] (Cartesian), [-2.71543375e-06 -2.64782983e-06 -9.99985878e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.82446043048579,0.4359667906821428,0.45621127603862877,80.12450187396482,0.44189446870283355,0.6099888276261067,0.7804210737124273,0.9217558742889553,0.5919125222513271,0.5973262620357179,0.5739150956758632,0.7171751840913501,0.0930898320864262,0.6978334703863811 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.66086267e-16 -4.88955490e-18] [ 0.00000000e+00 1.00000000e+00 -1.88824111e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.82446043048579,0.4359667906821428,0.45621127603862877,80.12450187396482,0.44189446870283355,0.6099888276261067,0.7804210737124273,0.9217558742889553,0.5919125222513271,0.5973262620357179,0.5739150956758632,0.7171751840913501,0.0930898320864262,0.6978334703863811 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 0.0038716789508599163 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.8044,0.43614638,0.45659176,80.125,0.55843781,0.89008981,0.27991617,0.078129428,0.90816669,0.098189963,0.42654346,0.78276608,0.59270772,0.30226544 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.08041e+01 3.40464e-07 -8.24928e-02] (Cartesian), [-9.99999827e-01 -9.99999683e-01 -2.55947869e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.804415408965617,0.4361469182834024,0.4565893040680867,80.12497440182615,0.4415622606686387,0.6099104366564267,0.7799162385810459,0.921868012771762,0.5918335555585046,0.5981900351323113,0.5734539796743583,0.7172341687673249,0.09270779536585676,0.6977320036591139 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.84697366e-16 1.59667005e-17] [ 0.00000000e+00 1.00000000e+00 -8.95128666e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.804415408965617,0.4361469182834024,0.4565893040680867,80.12497440182615,0.4415622606686387,0.6099104366564267,0.7799162385810459,0.921868012771762,0.5918335555585046,0.5981900351323113,0.5734539796743583,0.7172341687673249,0.09270779536585676,0.6977320036591139 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 0.003873008370477879 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.7836,0.43630142,0.45692533,80.1237,0.55876615,0.89015511,0.27947312,0.078028618,0.90823776,0.098984582,0.42696938,0.78271804,0.59241903,0.30226998 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.03856e-01 -2.58489e-07 -2.43033e+00] (Cartesian), [-8.84051091e-07 -9.93931639e-07 -5.00002534e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.783581599570809,0.4363030156147028,0.4569246867624384,80.12374059231563,0.5587660993147749,0.6098439525534796,0.22052682633753895,0.9219688474608012,0.5917613033850964,0.40101536298554186,0.5730280847830362,0.7172810221571673,0.9075809143763259,0.6977274887530998 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 8.54745272e-07 1.00000060e+00 1.13746154e-07] [ 9.99999434e-01 -8.54745272e-07 -1.11356148e-07] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.783581599570809,0.4363030156147028,0.4569246867624384,80.12374059231563,0.5587660993147749,0.6098439525534796,0.22052682633753895,0.9219688474608012,0.5917613033850964,0.40101536298554186,0.5730280847830362,0.7172810221571673,0.9075809143763259,0.6977274887530998 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 0.0038744257895456857 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.7615,0.43644473,0.45724109,80.1215,0.55910001,0.89021249,0.27904652,0.077937525,0.90830424,0.099772169,0.42740331,0.78267353,0.5921701,0.30222802 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.06413e-01 -1.38895e-06 -4.85407e+00] (Cartesian), [-1.70017019e-06 -2.29160950e-06 -9.99998267e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.761458829357142,0.4364507809293558,0.457243225546705,80.12150520146072,0.44089969478060065,0.3902104931774484,0.22095318220842095,0.07793925871954288,0.40830224682068117,0.40022753574927156,0.4274050404972347,0.282671535384714,0.9078296076078313,0.30222975227864546 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.20245520e-17 9.65821034e-18] [ 0.00000000e+00 1.00000000e+00 -4.21957747e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.761458829357142,0.4364507809293558,0.457243225546705,80.12150520146072,0.44089969478060065,0.3902104931774484,0.22095318220842095,0.07793925871954288,0.40830224682068117,0.40022753574927156,0.4274050404972347,0.282671535384714,0.9078296076078313,0.30222975227864546 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 0.0038759327425496163 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.7378,0.43659781,0.45755183,80.1185,0.55944092,0.89026405,0.27862303,0.077850476,0.90836758,0.10057098,0.42785372,0.78263149,0.59194598,0.30214797 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11400e+01 -4.49366e-07 -2.50789e+00] (Cartesian), [-0.99999884 -0.99999903 -0.49999809] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.737841990613893,0.4365945825910963,0.4575509314558604,80.11850813176015,0.5594408210554808,0.39026511731924507,0.7786229360487928,0.07785238832411245,0.40836865027118074,0.6005708799549219,0.42785563614269395,0.28263255375137675,0.09194588887130534,0.3021498846731312 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -4.29364635e-17 8.20776272e-18] [ 0.00000000e+00 1.00000000e+00 1.91704424e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.737841990613893,0.4365945825910963,0.4575509314558604,80.11850813176015,0.5594408210554808,0.39026511731924507,0.7786229360487928,0.07785238832411245,0.40836865027118074,0.6005708799549219,0.42785563614269395,0.28263255375137675,0.09194588887130534,0.3021498846731312 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 0.0038775262164585374 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.7127,0.43673397,0.45783976,80.1148,0.55978702,0.89030938,0.27820336,0.077767294,0.90842709,0.10138015,0.42832129,0.78259239,0.59174902,0.30202701 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.01779e-01 -6.25520e-07 -2.41919e+00] (Cartesian), [-2.27346968e-06 -2.54086726e-06 -4.99990513e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.712654324704411,0.4367336307040326,0.45784523706884145,80.11479888787683,0.559786886496165,0.3903069719953991,0.7782032305323883,0.07777678072956884,0.4084246840573942,0.6013800187881622,0.42833077640868256,0.2825899846644173,0.0917488894061009,0.3020364950573766 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -8.89410936e-18 -4.33175569e-18] [ 0.00000000e+00 1.00000000e+00 9.54603212e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.712654324704411,0.4367336307040326,0.45784523706884145,80.11479888787683,0.559786886496165,0.3903069719953991,0.7782032305323883,0.07777678072956884,0.4084246840573942,0.6013800187881622,0.42833077640868256,0.2825899846644173,0.0917488894061009,0.3020364950573766 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 0.0038792021699118506 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.6858,0.43686949,0.45812199,80.1105,0.56013654,0.89034817,0.27778781,0.077687418,0.9084824,0.10219911,0.42880614,0.7825565,0.59158013,0.30186371 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.10864e+01 4.80858e-07 -2.50066e+00] (Cartesian), [-0.99999873 -0.99999853 -0.49999106] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.685806649742622,0.4368674945541932,0.45812482657094994,80.11046325727148,0.5601366396670933,0.6096532017924052,0.22221228969207538,0.9223215187734295,0.5915189690805891,0.3978009932848231,0.5712027999146088,0.717444873711738,0.9084199735847064,0.6981452230161769 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 5.62162928e-17 1.72197135e-17] [ 0.00000000e+00 -1.00000000e+00 -3.25828747e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.685806649742622,0.4368674945541932,0.45812482657094994,80.11046325727148,0.5601366396670933,0.6096532017924052,0.22221228969207538,0.9223215187734295,0.5915189690805891,0.3978009932848231,0.5712027999146088,0.717444873711738,0.9084199735847064,0.6981452230161769 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 0.003880954238913998 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.6572,0.43700034,0.45838494,80.1056,0.56048744,0.89037988,0.27737703,0.077610691,0.90853287,0.10302669,0.42930888,0.78252435,0.5914413,0.3016555 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.10569e+01 -1.14836e-06 -2.49634e+00] (Cartesian), [-0.99999238 -0.99999288 -0.49999324] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.657237736318777,0.4369948788172652,0.4583860684116498,80.10562545083454,0.560487198168272,0.3903872480443056,0.7773767827270961,0.07761744932081571,0.40854024241431697,0.6030264438210602,0.42931563944436557,0.28253171908832764,0.09144105113635131,0.30166225862184426 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.56713567e-17 3.47100331e-17] [ 0.00000000e+00 1.00000000e+00 -1.51634828e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.657237736318777,0.4369948788172652,0.4583860684116498,80.10562545083454,0.560487198168272,0.3903872480443056,0.7773767827270961,0.07761744932081571,0.40854024241431697,0.6030264438210602,0.42931563944436557,0.28253171908832764,0.09144105113635131,0.30166225862184426 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 0.0038827753475018777 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.6269,0.43711713,0.45862857,80.1004,0.56083731,0.89040408,0.27697163,0.077536377,0.90857816,0.10386125,0.42982914,0.78249625,0.59133457,0.30140033 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.99186e-01 7.97548e-07 -2.40400e+00] (Cartesian), [-1.35551981e-06 -1.01213165e-06 -5.00006612e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.626872585798743,0.4371153376302909,0.458626523391006,80.10042476841308,0.5608374834262071,0.6095947395633459,0.22302853745363205,0.9224570101553695,0.5914206597053153,0.3961389173306478,0.5701642502003315,0.7175025615649144,0.9086656053855569,0.6985930605298871 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -7.81413838e-17 9.68461604e-18] [ 0.00000000e+00 -1.00000000e+00 -2.36303888e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.626872585798743,0.4371153376302909,0.458626523391006,80.10042476841308,0.5608374834262071,0.6095947395633459,0.22302853745363205,0.9224570101553695,0.5914206597053153,0.3961389173306478,0.5701642502003315,0.7175025615649144,0.9086656053855569,0.6985930605298871 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 0.003884655767984687 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.5946,0.43723217,0.45884696,80.0951,0.56118385,0.89042046,0.27657154,0.077463636,0.90861793,0.10470193,0.43036702,0.78247253,0.591261,0.30109676 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.09924e+01 -6.57502e-07 -2.48602e+00] (Cartesian), [-0.9999961 -0.99999639 -0.5000046 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.59464402685471,0.43722815096689127,0.45884352564190634,80.09505975637344,0.5611837098095698,0.3904242200397112,0.7765713940042789,0.07745903568592372,0.4086216895783308,0.6047017858774564,0.430362422334559,0.28247628857734575,0.09126086300640028,0.3010921629776926 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 7.75019351e-17 3.37546006e-17] [0.00000000e+00 1.00000000e+00 1.71400300e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.59464402685471,0.43722815096689127,0.45884352564190634,80.09505975637344,0.5611837098095698,0.3904242200397112,0.7765713940042789,0.07745903568592372,0.4086216895783308,0.6047017858774564,0.430362422334559,0.28247628857734575,0.09126086300640028,0.3010921629776926 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 0.0038865843452017346 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.5605,0.43732778,0.4590313,80.0897,0.56152463,0.89042876,0.27617655,0.07739149,0.90865199,0.10554762,0.43092232,0.78245347,0.59122188,0.3007434 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.94134e-01 1.26250e-06 -4.78210e+00] (Cartesian), [-1.22468321e-06 -6.77962699e-07 -9.99991642e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.560490143272103,0.4373326842336685,0.45903445449499836,80.0897210943458,0.4384756481388936,0.6095702912246461,0.7761768254849257,0.9226168688063587,0.5913470551700635,0.6055478934515055,0.5690860371603246,0.7175455751703137,0.09122215624498374,0.6992649570146405 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.69922213e-18 -1.52893488e-18] [ 0.00000000e+00 1.00000000e+00 6.96916475e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.560490143272103,0.4373326842336685,0.45903445449499836,80.0897210943458,0.4384756481388936,0.6095702912246461,0.7761768254849257,0.9226168688063587,0.5913470551700635,0.6055478934515055,0.5690860371603246,0.7175455751703137,0.09122215624498374,0.6992649570146405 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 0.0038885495648729416 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.5244,0.43743111,0.45919007,80.0848,0.56185678,0.89042882,0.27578589,0.077318431,0.90868028,0.10639746,0.43149508,0.78243922,0.59121756,0.30033915 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.95894e-01 -1.05457e-06 -2.38368e+00] (Cartesian), [-2.21223994e-06 -2.67038413e-06 -4.99991369e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.524351498309823,0.4374293074796104,0.4591959353850722,80.08478550559131,0.5618565481213662,0.39042637941771496,0.7757856589378503,0.07732706175049797,0.40867784358590775,0.6063972268221887,0.43150371119930586,0.2824367818582061,0.09121733483832167,0.3003477845500533 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 3.80796069e-17 -3.60153881e-17] [ 0.00000000e+00 -1.00000000e+00 -1.08985208e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.524351498309823,0.4374293074796104,0.4591959353850722,80.08478550559131,0.5618565481213662,0.39042637941771496,0.7757856589378503,0.07732706175049797,0.40867784358590775,0.6063972268221887,0.43150371119930586,0.2824367818582061,0.09121733483832167,0.3003477845500533 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 0.003890536088119078 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.4862,0.43751788,0.4593275,80.0803,0.56217785,0.89042034,0.27539935,0.077243542,0.90870277,0.10724998,0.43208435,0.78243011,0.59124999,0.29988268 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94596e-01 4.98181e-07 -2.37577e+00] (Cartesian), [-6.92267478e-07 -4.75094852e-07 -5.00005711e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.486184219678492,0.437516655642524,0.4593259168393647,80.08029867922365,0.5621779583707581,0.6095790785008821,0.22460075822899372,0.9227507474434811,0.5912966461673284,0.39275013118750235,0.5679099387369853,0.7175693061251622,0.9087501171468333,0.7001116068789126 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.99260866e-07 9.99999991e-01 1.50829908e-08] [ 9.99999721e-01 -1.99260866e-07 -3.78518893e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.486184219678492,0.437516655642524,0.4593259168393647,80.08029867922365,0.5621779583707581,0.6095790785008821,0.22460075822899372,0.9227507474434811,0.5912966461673284,0.39275013118750235,0.5679099387369853,0.7175693061251622,0.9087501171468333,0.7001116068789126 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 0.0038925305720847155 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.4459,0.43759753,0.45942427,80.0767,0.56248438,0.89040326,0.27501564,0.077164827,0.90871969,0.10810408,0.43269016,0.78242616,0.59131951,0.29937258 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.04455e+01 -1.25042e-07 -8.97953e-02] (Cartesian), [-9.99993835e-01 -9.99993889e-01 -6.10358291e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.445945027094865,0.43759598343925227,0.4594200839814956,80.0767428311856,0.43751558786745604,0.39040939764507954,0.22498432867720083,0.07715872306794669,0.4087258285344373,0.3918958962629029,0.4326840550609772,0.282432296914652,0.9086804650287054,0.2993664786760353 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.17918856e-17 -1.52731713e-17] [ 0.00000000e+00 1.00000000e+00 8.69765598e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.445945027094865,0.43759598343925227,0.4594200839814956,80.0767428311856,0.43751558786745604,0.39040939764507954,0.22498432867720083,0.07715872306794669,0.4087258285344373,0.3918958962629029,0.4326840550609772,0.282432296914652,0.9086804650287054,0.2993664786760353 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 0.0038945160414931004 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.4036,0.43766581,0.45947557,80.0743,0.56277382,0.89037738,0.27463387,0.077080926,0.90873134,0.10895847,0.43331142,0.78242753,0.59142731,0.29880781 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11865e+01 2.86411e-07 -4.80531e+00] (Cartesian), [-0.99999647 -0.99999635 -0.99999642] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.403602940450089,0.43766663681429946,0.4594762267774584,80.07429321174375,0.4372262459738524,0.60962620613628,0.7746339376028757,0.9229226529429067,0.5912722479343266,0.608958533062568,0.5666921558046774,0.717576059092095,0.09142736841042495,0.701195767723412 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.88053611e-17 1.67247483e-17] [ 0.00000000e+00 1.00000000e+00 -1.59481334e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.403602940450089,0.43766663681429946,0.4594762267774584,80.07429321174375,0.4372262459738524,0.60962620613628,0.7746339376028757,0.9229226529429067,0.5912722479343266,0.608958533062568,0.5666921558046774,0.717576059092095,0.09142736841042495,0.701195767723412 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 0.0038964768698003514 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.3591,0.43773108,0.45948972,80.0733,0.5630424,0.89034257,0.27425275,0.07698982,0.90873825,0.10981152,0.43394775,0.78243425,0.59157445,0.2981863 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11387e+01 -1.21596e-07 -4.78501e+00] (Cartesian), [-0.9999924 -0.99999245 -0.99999436] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.359141587462515,0.43772963609678356,0.4594895083304729,80.07330801937792,0.4369575758182661,0.3903501383181667,0.22574721845837215,0.07699546139714553,0.4087458262483368,0.39018845664196516,0.433953388885,0.28244182108605087,0.9084255267773713,0.29819194424829254 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.90826609e-17 -7.03911365e-18] [ 0.00000000e+00 1.00000000e+00 4.44941610e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.359141587462515,0.43772963609678356,0.4594895083304729,80.07330801937792,0.4369575758182661,0.3903501383181667,0.22574721845837215,0.07699546139714553,0.4087458262483368,0.39018845664196516,0.433953388885,0.28244182108605087,0.9084255267773713,0.29819194424829254 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 0.003898396868221966 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.3126,0.43778485,0.45945736,80.074,0.56328661,0.89029859,0.2738712,0.076889704,0.90874109,0.11066133,0.43459813,0.78244639,0.59176289,0.29750559 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.88258e-01 -3.40942e-07 -2.33709e+00] (Cartesian), [-1.88992329e-06 -2.04096013e-06 -5.00007259e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.312550973931215,0.4377856270337452,0.4594562567479409,80.0740100162042,0.5632865342203592,0.3902966229125495,0.7738711222796382,0.07688244536056033,0.40873912799304124,0.6106612511759288,0.4345908716219742,0.28244442605473985,0.09176281489666499,0.2974983312686068 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 3.98385438e-17 1.65974562e-17] [ 0.00000000e+00 -1.00000000e+00 -2.04059887e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.312550973931215,0.4377856270337452,0.4594562567479409,80.0740100162042,0.5632865342203592,0.3902966229125495,0.7738711222796382,0.07688244536056033,0.40873912799304124,0.6106612511759288,0.4345908716219742,0.28244442605473985,0.09176281489666499,0.2974983312686068 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 0.0039002595060939047 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.2638,0.43783979,0.45937177,80.0767,0.56350182,0.89024507,0.27348837,0.076778485,0.90874076,0.11150494,0.43526173,0.78246415,0.59199674,0.29676038 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.06497e+01 -5.02165e-07 -2.41369e+00] (Cartesian), [-0.99999283 -0.99999305 -0.49999818] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.263841458167372,0.4378360238484379,0.4593705062970863,80.07665022361215,0.5635017051815847,0.39025212956299016,0.7734882559660761,0.07678030317945561,0.40874781985820885,0.611504823782844,0.43526354537411427,0.2824712064723818,0.09199662983846252,0.2967621982910249 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.85741546e-07 -9.99999749e-01 4.24929615e-08] [-1.00000014e+00 -2.85741546e-07 -3.34332412e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.263841458167372,0.4378360238484379,0.4593705062970863,80.07665022361215,0.5635017051815847,0.39025212956299016,0.7734882559660761,0.07678030317945561,0.40874781985820885,0.611504823782844,0.43526354537411427,0.2824712064723818,0.09199662983846252,0.2967621982910249 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 0.003902049520666618 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.213,0.43788309,0.45922843,80.0815,0.56368354,0.89018163,0.27310321,0.076653841,0.90873843,0.11233966,0.43593753,0.7824875,0.5922791,0.29594593 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.02126e+01 -1.42321e-07 -8.69714e-02] (Cartesian), [-9.99993962e-01 -9.99994026e-01 -1.22918442e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.213030664560906,0.43788237845336475,0.45922663594484736,80.08148708382882,0.43631643002129084,0.3901876350713509,0.22689675817638022,0.07665261173376736,0.4087444359191703,0.387660308752922,0.4359363001957166,0.2824935040988408,0.9077208721414477,0.2959447004497877 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.03958565e-17 -3.53499116e-17] [ 0.00000000e+00 -1.00000000e+00 -1.93210797e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.213030664560906,0.43788237845336475,0.45922663594484736,80.08148708382882,0.43631643002129084,0.3901876350713509,0.22689675817638022,0.07665261173376736,0.4087444359191703,0.387660308752922,0.4359363001957166,0.2824935040988408,0.9077208721414477,0.2959447004497877 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 0.003903752355203292 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.1601,0.43792876,0.45902107,80.0888,0.5638281,0.89010789,0.27271427,0.076513348,0.90873556,0.11316359,0.43662429,0.78251608,0.5926106,0.29505947 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.05417e+01 -2.89689e-07 -2.38581e+00] (Cartesian), [-0.99998908 -0.99998921 -0.50000027] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.160144957400643,0.4379256443146353,0.4590196026916295,80.08884447996995,0.5638280312222592,0.3901187398863535,0.7727142028862953,0.07651308117813427,0.40874640750806557,0.613163525108638,0.43662401964015096,0.2825269318677297,0.09261053940578047,0.29505920838432265 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.56573711e-16 -1.05429805e-17] [ 0.00000000e+00 -1.00000000e+00 1.10289605e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.160144957400643,0.4379256443146353,0.4590196026916295,80.08884447996995,0.5638280312222592,0.3901187398863535,0.7727142028862953,0.07651308117813427,0.40874640750806557,0.613163525108638,0.43662401964015096,0.2825269318677297,0.09261053940578047,0.29505920838432265 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 0.0039053554286395224 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.1052,0.43797253,0.45874401,80.099,0.5639302,0.89002323,0.27232075,0.076354089,0.90873386,0.11397325,0.43732091,0.78254974,0.59299555,0.2940938 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.04845e+01 -7.42671e-07 -2.37013e+00] (Cartesian), [-0.99999685 -0.99999719 -0.50000312] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.105225201541783,0.43796824577679677,0.4587422997675744,80.09899785743706,0.5639300366000781,0.3900262115629072,0.772320579628746,0.07635097129833479,0.40873683738673594,0.6139730852497386,0.43731779627814493,0.28255271647131464,0.09299538140967208,0.2940906859282222 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.29728200e-07 -9.99999786e-01 -1.22344303e-09] [-9.99999474e-01 2.29728200e-07 5.95937991e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.105225201541783,0.43796824577679677,0.4587422997675744,80.09899785743706,0.5639300366000781,0.3900262115629072,0.772320579628746,0.07635097129833479,0.40873683738673594,0.6139730852497386,0.43731779627814493,0.28255271647131464,0.09299538140967208,0.2940906859282222 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 0.0039068476178832825 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.0483,0.43801439,0.458386,80.1122,0.56398417,0.88992677,0.27192235,0.076172996,0.90873544,0.11476457,0.43802606,0.78258821,0.59343924,0.29304004 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.08022e+01 1.54849e-07 -4.62509e+00] (Cartesian), [-0.99999778 -0.99999771 -0.99999629] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=10.048335333708089,0.4380120563635778,0.4583860416852452,80.11222881537489,0.43601586035576423,0.38992902410067787,0.22807768291881997,0.07617670791741649,0.4087376964427858,0.3852354635532519,0.43802977150719036,0.2825904689192331,0.9065607999183474,0.29304374949331313 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -6.37539303e-17 2.95100529e-17] [ 0.00000000e+00 1.00000000e+00 -1.10693549e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=10.048335333708089,0.4380120563635778,0.4583860416852452,80.11222881537489,0.43601586035576423,0.38992902410067787,0.22807768291881997,0.07617670791741649,0.4087376964427858,0.3852354635532519,0.43802977150719036,0.2825904689192331,0.9065607999183474,0.29304374949331313 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 0.003908221146907047 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.9895,0.43805996,0.45794084,80.1289,0.56398367,0.88981743,0.27151897,0.075966418,0.90874283,0.11553299,0.43873839,0.7826311,0.59394761,0.29188736 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.07380e+01 -3.98484e-07 -4.59137e+00] (Cartesian), [-0.99999634 -0.99999652 -0.99999083] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.989546479737436,0.4380598081845462,0.4579411538018696,80.12888092998425,0.43601624145067663,0.3898209995160622,0.2284809397420094,0.07597559185977754,0.40874640341467394,0.3844669163571732,0.43874755857149106,0.2826346690955499,0.9060523017647752,0.2918965359964314 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 5.38609517e-18 -5.56387343e-18] [ 0.00000000e+00 -1.00000000e+00 8.31391438e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.989546479737436,0.4380598081845462,0.4579411538018696,80.12888092998425,0.43601624145067663,0.3898209995160622,0.2284809397420094,0.07597559185977754,0.40874640341467394,0.3844669163571732,0.43874755857149106,0.2826346690955499,0.9060523017647752,0.2918965359964314 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 0.003909471514779364 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.9289,0.438115,0.45740213,80.1494,0.56392197,0.88969383,0.27111096,0.075730119,0.90875906,0.11627348,0.43945646,0.7826777,0.59452723,0.29062291 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.92860e+00 -2.64491e-07 -7.52385e-02] (Cartesian), [-9.99993116e-01 -9.99993238e-01 -7.32386098e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.928947126245076,0.43811412907866243,0.4573964047570415,80.14939716294893,0.43607796988326875,0.3897006500358253,0.22888897791346724,0.07572279562000683,0.4087658804313117,0.3837264566529631,0.439449138283067,0.28268452237709396,0.905472712205112,0.2906155869742151 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.01863975e-16 4.64107794e-17] [ 0.00000000e+00 -1.00000000e+00 -1.75765847e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.928947126245076,0.43811412907866243,0.4573964047570415,80.14939716294893,0.43607796988326875,0.3897006500358253,0.22888897791346724,0.07572279562000683,0.4087658804313117,0.3837264566529631,0.439449138283067,0.28268452237709396,0.905472712205112,0.2906155869742151 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 0.00391059776610262 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.8666,0.43817526,0.45674295,80.1743,0.56379188,0.8895542,0.27069935,0.075459235,0.9087877,0.11698043,0.44017873,0.78272709,0.59518543,0.28923157 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.86632e+00 -8.46819e-07 -7.13788e-02] (Cartesian), [-9.99992225e-01 -9.99992616e-01 -4.35658755e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.866649629693974,0.43817706743123747,0.4567384911960877,80.17427211565142,0.4362079214024498,0.38956177996764185,0.22930045094304022,0.07545487801315942,0.4087952826267227,0.38301937265960545,0.44017436949018185,0.28273466888267684,0.9048143697242529,0.2892272094708912 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.02580234e-16 1.45622130e-17] [ 0.00000000e+00 -1.00000000e+00 -1.47212196e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.866649629693974,0.43817706743123747,0.4567384911960877,80.17427211565142,0.4362079214024498,0.38956177996764185,0.22930045094304022,0.07545487801315942,0.4087952826267227,0.38301937265960545,0.44017436949018185,0.28273466888267684,0.9048143697242529,0.2892272094708912 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 0.003911605824418441 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.8028,0.43825234,0.45595136,80.2042,0.56358606,0.88939654,0.27028523,0.075147899,0.90883285,0.11764839,0.44090388,0.78277785,0.59592869,0.28769666 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.65205e-01 -4.75174e-07 -2.20476e+00] (Cartesian), [-1.53646932e-06 -1.75768228e-06 -4.99999476e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.80276883876433,0.438251409653035,0.45595319779162774,80.20423700495995,0.5635859521964922,0.38939489524458315,0.7702851178632453,0.07514842246711284,0.4088312032319852,0.6176482821029792,0.4409044071798629,0.2827762006984824,0.09592858193576663,0.2876971885537021 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-6.08055645e-07 -1.00000015e+00 -5.88769790e-08] [-9.99999327e-01 6.08055645e-07 9.94014469e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.80276883876433,0.438251409653035,0.45595319779162774,80.20423700495995,0.5635859521964922,0.38939489524458315,0.7702851178632453,0.07514842246711284,0.4088312032319852,0.6176482821029792,0.4409044071798629,0.2827762006984824,0.09592858193576663,0.2876971885537021 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 0.003912506547942774 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.7374,0.43834083,0.45502906,80.2402,0.56329796,0.88921852,0.26986996,0.074789653,0.90889905,0.1182726,0.44163095,0.78282793,0.59676156,0.28600132 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00989e+01 -7.22796e-08 -2.24735e+00] (Cartesian), [-0.9999927 -0.99999273 -0.50000594] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.737445814986911,0.4383381896844936,0.4550247733428163,80.24016571654045,0.5632979386591623,0.389225807890464,0.7698699476972215,0.07478371685124663,0.408906338333189,0.6182725793543321,0.44162501644078045,0.28283521951813473,0.09676154335430559,0.2859953884177453 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-3.60538065e-07 -1.00000027e+00 -4.83306643e-08] [-9.99999777e-01 3.60538065e-07 4.49810741e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.737445814986911,0.4383381896844936,0.4550247733428163,80.24016571654045,0.5632979386591623,0.389225807890464,0.7698699476972215,0.07478371685124663,0.408906338333189,0.6182725793543321,0.44162501644078045,0.28283521951813473,0.09676154335430559,0.2859953884177453 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 0.003913319280095926 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.6708,0.43844356,0.45394383,80.2831,0.56292229,0.88901773,0.26945409,0.074377604,0.90899097,0.11885045,0.44236026,0.78287461,0.59768377,0.28413113 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00286e+01 2.37772e-06 -2.22127e+00] (Cartesian), [-0.99999083 -0.99998971 -0.50001257] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.670827552148175,0.4384378057333018,0.45393754035369643,80.28305623138756,0.562922848807347,0.6109919988732024,0.23054646772335813,0.9256098262975827,0.5910187646033691,0.38115011085327305,0.5576271699265001,0.7171351204809715,0.9023167925933525,0.7158563007908629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -5.34655788e-17 2.07362713e-17] [ 0.00000000e+00 1.00000000e+00 2.07362713e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.670827552148175,0.4384378057333018,0.45393754035369643,80.28305623138756,0.562922848807347,0.6109919988732024,0.23054646772335813,0.9256098262975827,0.5910187646033691,0.38115011085327305,0.5576271699265001,0.7171351204809715,0.9023167925933525,0.7158563007908629 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 0.003914070592722762 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.6031,0.43854589,0.45267674,80.3339,0.56245713,0.88879218,0.2690359,0.073905523,0.90911263,0.11938382,0.44309437,0.78291443,0.59868548,0.28207964 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.08183e-01 6.85987e-07 -4.28903e+00] (Cartesian), [-2.27017083e-06 -1.94439555e-06 -1.00000016e+00] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.603056694021046,0.43854913042195126,0.4526786314534102,80.33385183516013,0.437543036834915,0.6112057157340907,0.769036065507894,0.9260943166433186,0.5908852645455882,0.6193839817151674,0.5569054737513457,0.7170834613109611,0.09868564126096634,0.7179202027692086 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-3.90906609e-07 -1.00000065e+00 -7.91179124e-08] [-1.00000012e+00 3.90906609e-07 2.05595452e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.603056694021046,0.43854913042195126,0.4526786314534102,80.33385183516013,0.437543036834915,0.6112057157340907,0.769036065507894,0.9260943166433186,0.5908852645455882,0.6193839817151674,0.5569054737513457,0.7170834613109611,0.09868564126096634,0.7179202027692086 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 0.00391479376140439 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.5342,0.43867341,0.4512387,80.3932,0.56190553,0.88854091,0.26860948,0.073369591,0.90926632,0.11988161,0.44383971,0.7829435,0.5997426,0.27985493 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.88399e+00 6.97846e-07 -2.16327e+00] (Cartesian), [-0.99999333 -0.999993 -0.49998761] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.534248186027527,0.4386698690512594,0.4512414800586408,80.39316697483319,0.561905698132847,0.6114659273417167,0.23139068830627935,0.9266428035446319,0.5907405171448279,0.38011855237189623,0.5561726832570368,0.7170633349362248,0.9002575696261002,0.7201574615513595 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.04515681e-16 -1.50510182e-17] [ 0.00000000e+00 -1.00000000e+00 -1.98132196e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.534248186027527,0.4386698690512594,0.4512414800586408,80.39316697483319,0.561905698132847,0.6114659273417167,0.23139068830627935,0.9266428035446319,0.5907405171448279,0.38011855237189623,0.5561726832570368,0.7170633349362248,0.9002575696261002,0.7201574615513595 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 0.003915525249851952 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.4645,0.43879761,0.44962756,80.4607,0.56127567,0.88826454,0.26816369,0.07277036,0.90945167,0.12036056,0.44460797,0.7829582,0.60081555,0.27748364 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.45508e-01 7.70751e-07 -2.09952e+00] (Cartesian), [-1.03619291e-06 -6.65013734e-07 -5.00002997e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.464483068254761,0.43879693916197693,0.4496273666373677,80.46071692810416,0.5612758593543542,0.6117346094139224,0.23183649900638878,0.9272266431272695,0.5905474825375674,0.37963963023031794,0.5553890320366355,0.7170409479852482,0.899184633048195,0.7225133592937847 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.52122296e-16 5.04400138e-18] [ 0.00000000e+00 -1.00000000e+00 -9.98142343e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.464483068254761,0.43879693916197693,0.4496273666373677,80.46071692810416,0.5612758593543542,0.6117346094139224,0.23183649900638878,0.9272266431272695,0.5905474825375674,0.37963963023031794,0.5553890320366355,0.7170409479852482,0.899184633048195,0.7225133592937847 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 0.0039163036235098075 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.3938,0.4389278,0.44784858,80.5352,0.56057913,0.88796517,0.26768314,0.072113529,0.90966554,0.12084297,0.44541585,0.78295601,0.60185549,0.27500708 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.73467e+00 -1.55535e-07 -2.09836e+00] (Cartesian), [-0.99999774 -0.99999781 -0.50001381] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.393809672235896,0.43892770090273764,0.447843916333188,80.53523575391169,0.5605790898901298,0.6120370532470922,0.23231682487938063,0.9278726566092115,0.5903366889337731,0.37915698751079324,0.5545703387856566,0.7170462129235131,0.8981444736671955,0.7249791037403079 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 5.45743779e-17 -1.23235160e-17] [ 0.00000000e+00 -1.00000000e+00 4.42263239e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.393809672235896,0.43892770090273764,0.447843916333188,80.53523575391169,0.5605790898901298,0.6120370532470922,0.23231682487938063,0.9278726566092115,0.5903366889337731,0.37915698751079324,0.5545703387856566,0.7170462129235131,0.8981444736671955,0.7249791037403079 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 0.00391717035721312 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.3223,0.43906547,0.44589854,80.6144,0.55982647,0.88764597,0.26715064,0.071409767,0.90990279,0.12135188,0.44628503,0.78293591,0.60281238,0.27247353 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.36178e-01 2.32541e-06 -2.05104e+00] (Cartesian), [-2.52385211e-06 -1.38758146e-06 -5.00001918e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.322260638870057,0.4390626579064059,0.4458998424592843,80.61439350308096,0.55982703639386,0.6123520761985344,0.23284993130304502,0.9285883153058065,0.5900952568349711,0.37864868402087165,0.5537130547744862,0.7170621373524624,0.8971881877341793,0.7275245511868631 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.16623277e-16 2.35950051e-17] [ 0.00000000e+00 1.00000000e+00 -1.67939908e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.322260638870057,0.4390626579064059,0.4458998424592843,80.61439350308096,0.55982703639386,0.6123520761985344,0.23284993130304502,0.9285883153058065,0.5900952568349711,0.37864868402087165,0.5537130547744862,0.7170621373524624,0.8971881877341793,0.7275245511868631 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 0.003918177912598186 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.2499,0.43920475,0.44379939,80.6949,0.55902233,0.88731016,0.2665497,0.070672884,0.91015784,0.12190587,0.44724195,0.78289827,0.60364289,0.26992741 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.03508e-06 1.45279e-06 -1.86028e-05] (Cartesian), [-8.97317267e-07 -1.82120201e-07 -4.59157000e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.249886715023841,0.4392084627204219,0.4437962986064864,80.69494218593576,0.44097803093871923,0.6126892954766328,0.7665500530295084,0.9293225241845207,0.5898416244932259,0.6219062301182952,0.5527534573799042,0.7171011865389121,0.10364325002208936,0.7300680013998835 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-6.70288310e-07 -1.00000029e+00 -6.91949960e-08] [-9.99999387e-01 6.70288310e-07 9.20868423e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.249886715023841,0.4392084627204219,0.4437962986064864,80.69494218593576,0.44097803093871923,0.6126892954766328,0.7665500530295084,0.9293225241845207,0.5898416244932259,0.6219062301182952,0.5527534573799042,0.7171011865389121,0.10364325002208936,0.7300680013998835 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 0.003919405825940854 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.1768,0.43937974,0.44151556,80.7733,0.55816088,0.8869602,0.2658665,0.069917115,0.91042647,0.12251591,0.44831957,0.78284394,0.60431409,0.26739949 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.53016e-01 2.18575e-07 -3.99872e+00] (Cartesian), [-7.99992078e-07 -6.91574759e-07 -9.99993017e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.176794621265474,0.4393805279407383,0.44151768908508954,80.77332050741971,0.4418391718157759,0.6130390577441855,0.7658665501794153,0.9300898676771951,0.5895727805414535,0.6225159684113972,0.5516874128180671,0.717155310827337,0.10431414735256375,0.7326074899359942 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 3.28908661e-18 -3.64629115e-18] [ 0.00000000e+00 -1.00000000e+00 -3.64873758e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.176794621265474,0.4393805279407383,0.44151768908508954,80.77332050741971,0.4418391718157759,0.6130390577441855,0.7658665501794153,0.9300898676771951,0.5895727805414535,0.6225159684113972,0.5516874128180671,0.717155310827337,0.10431414735256375,0.7326074899359942 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 0.003920990097634566 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.1032,0.43960366,0.43902144,80.8459,0.55722085,0.88659714,0.26508835,0.06915447,0.91070713,0.12318615,0.44956415,0.78277259,0.6047972,0.26490225 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.92903e-06 1.63631e-06 -7.12270e-06] (Cartesian), [-1.15203836e-06 -3.34257985e-07 -1.80911218e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.103184773377944,0.4396079525725854,0.4390206161471024,80.84591459184307,0.4427795544601978,0.6134021179033493,0.7650887577907368,0.9308437209375098,0.5892921236737416,0.6231865545019923,0.5504340430956935,0.7172266653400974,0.10479760816493551,0.7350959387194227 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.16026187e-07 -9.99999330e-01 5.48738652e-08] [-9.99999487e-01 -1.16026187e-07 2.77088020e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.103184773377944,0.4396079525725854,0.4390206161471024,80.84591459184307,0.4427795544601978,0.6134021179033493,0.7650887577907368,0.9308437209375098,0.5892921236737416,0.6231865545019923,0.5504340430956935,0.7172266653400974,0.10479760816493551,0.7350959387194227 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 0.003923189697327975 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.0294,0.43994064,0.43620839,80.9091,0.55615477,0.88622106,0.26419875,0.068392127,0.91100167,0.1239184,0.45105456,0.78267975,0.6050525,0.26242947 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.66333e+00 2.29926e-06 -3.86022e+00] (Cartesian), [-0.99999754 -0.99999639 -0.99997764] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=9.029420654734212,0.43994479225227173,0.43621269551568714,80.90906620653944,0.44384580531557505,0.6137819779826632,0.764199325573429,0.9316302374610643,0.5890013631956161,0.623918978200392,0.5489678048653817,0.7173232825857887,0.10505307434501687,0.737592889488726 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.55599018e-17 -3.61454127e-17] [ 0.00000000e+00 1.00000000e+00 -8.38983711e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=9.029420654734212,0.43994479225227173,0.43621269551568714,80.90906620653944,0.44384580531557505,0.6137819779826632,0.764199325573429,0.9316302374610643,0.5890013631956161,0.623918978200392,0.5489678048653817,0.7173232825857887,0.10505307434501687,0.737592889488726 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 0.0039266049576285175 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.9562,0.44051048,0.43288448,80.9588,0.55484726,0.88583222,0.26316192,0.067622248,0.91131764,0.12472282,0.4529667,0.78254767,0.6049865,0.25994619 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.95611e+00 2.34093e-06 3.62142e-02] (Cartesian), [-9.99994372e-01 -9.99993186e-01 -6.83186703e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=8.9562347706689,0.44051403366118413,0.43287971079011645,80.95882601398098,0.44515333480804564,0.6141740016451847,0.7631625179900223,0.9323709200539714,0.588688584032016,0.624723414551819,0.5470264691369155,0.7174585503061557,0.10498708928543055,0.7400469819493689 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.73978523e-16 1.46189338e-17] [ 0.00000000e+00 -1.00000000e+00 1.46189338e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.9562347706689,0.44051403366118413,0.43287971079011645,80.95882601398098,0.44515333480804564,0.6141740016451847,0.7631625179900223,0.9323709200539714,0.588688584032016,0.624723414551819,0.5470264691369155,0.7174585503061557,0.10498708928543055,0.7400469819493689 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 0.003933693403611581 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.8863,0.44181493,0.42815345,80.9923,0.55280154,0.88543844,0.26181784,0.066725359,0.91168787,0.1256875,0.45601758,0.78227823,0.60417666,0.25727248 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.43225e-05 4.87224e-07 -1.72999e-06] (Cartesian), [-1.70262497e-06 -1.45442813e-06 -4.80238401e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=8.886271095202538,0.4418174350094897,0.4281544906646301,80.99233990056922,0.44719858586957395,0.6145599836446656,0.7618179687036841,0.9332741607817425,0.5883105527253922,0.6256876274566456,0.5439819434650455,0.7177201921509115,0.10417678417610014,0.7427270443704539 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 6.50116623e-18 3.25362313e-17] [ 0.00000000e+00 -1.00000000e+00 7.30181460e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.886271095202538,0.4418174350094897,0.4281544906646301,80.99233990056922,0.44719858586957395,0.6145599836446656,0.7618179687036841,0.9332741607817425,0.5883105527253922,0.6256876274566456,0.5439819434650455,0.7177201921509115,0.10417678417610014,0.7427270443704539 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 0.004144054867119594 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.9591,0.4770122,0.37460236,79.6832,0.50993126,0.88489951,0.25410744,0.058623017,0.91455129,0.13054843,0.52206698,0.77639717,0.58513618,0.23702347 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.22836e-01 -8.55636e-08 -3.29779e+00] (Cartesian), [-2.78717943e-06 -2.82722210e-06 -9.99989860e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=8.959058475193531,0.4770168792209377,0.3746063332084643,79.68322824372058,0.49006872123485656,0.38489670425546296,0.24589254059481944,0.05863315715167339,0.4145484852175805,0.36945154976263755,0.5220771185527604,0.27639436089050395,0.9148638027737475,0.23703360937399776 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.49539946e-17 1.05616425e-17] [ 0.00000000e+00 -1.00000000e+00 4.20852458e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.959058475193531,0.4770168792209377,0.3746063332084643,79.68322824372058,0.49006872123485656,0.38489670425546296,0.24589254059481944,0.05863315715167339,0.4145484852175805,0.36945154976263755,0.5220771185527604,0.27639436089050395,0.9148638027737475,0.23703360937399776 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 0.004119805078227876 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.9032,0.4777945,0.99639455,158.6405,0.23926114,0.79969243,0.004824534,0.93397595,0.30712213,0.8786134,0.47179141,0.73495947,0.33719352,0.76232179 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.54628 1.06347 -1.61593] (Cartesian), [-5.00002731e-01 -2.87569519e-06 -5.00012918e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.903181254712239,0.47779339858760006,0.36998792608066144,78.7723759879079,0.01073879001284428,0.3842807124646126,0.25482446172585604,0.0660111362501703,0.41466647796421996,0.12861332456398428,0.5281956675538568,0.7773595122148571,0.0871934432692254,0.2376652966237114 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -2.64158875e-16 -1.25298900e-17] [ 0.00000000e+00 -1.00000000e+00 2.64355578e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.903181254712239,0.47779339858760006,0.36998792608066144,78.7723759879079,0.01073879001284428,0.3842807124646126,0.25482446172585604,0.0660111362501703,0.41466647796421996,0.12861332456398428,0.5281956675538568,0.7773595122148571,0.0871934432692254,0.2376652966237114 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 0.004018659506804896 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.9575,0.49907898,0.95605917,159.9181,0.21968346,0.73282705,0.013137171,0.86274815,0.24188059,0.8594865,0.40650572,0.74098998,0.35235327,0.77465251 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.63144 1.11763 -1.58382] (Cartesian), [-5.00004599e-01 -1.60840178e-06 -5.00005966e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.95745996842334,0.49908046216800367,0.34377656847349325,72.72863202868072,0.030318034380302006,0.6200757926752767,0.7368643242228414,0.862742184123771,0.5853717731929873,0.8905149993024429,0.406499751583854,0.21633436746082402,0.8976482292468478,0.7746465434725789 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 7.39812885e-18 -4.18194961e-17] [ 0.00000000e+00 -1.00000000e+00 -2.87672411e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.95745996842334,0.49908046216800367,0.34377656847349325,72.72863202868072,0.030318034380302006,0.6200757926752767,0.7368643242228414,0.862742184123771,0.5853717731929873,0.8905149993024429,0.406499751583854,0.21633436746082402,0.8976482292468478,0.7746465434725789 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 0.004025154599009974 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.8246,0.50260635,0.95819641,159.8826,0.216748,0.73015867,0.01276672,0.85985481,0.23972964,0.85875322,0.40412994,0.73983061,0.35239281,0.77399793 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.99724 -1.10882 -1.7345 ] (Cartesian), [-0.49999688 -0.99999547 -0.50000364] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.824626069654737,0.5026040163081703,0.34448088099327384,73.07904489458731,0.03325270143762926,0.620307679063075,0.7372339845906697,0.8598511621098082,0.5856035267772615,0.8912474868121726,0.40412629164590763,0.2158364955439227,0.8976078941066031,0.7739942858970623 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -2.67402222e-18 4.32336991e-18] [ 0.00000000e+00 -1.00000000e+00 9.35355171e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.824626069654737,0.5026040163081703,0.34448088099327384,73.07904489458731,0.03325270143762926,0.620307679063075,0.7372339845906697,0.8598511621098082,0.5856035267772615,0.8912474868121726,0.40412629164590763,0.2158364955439227,0.8976078941066031,0.7739942858970623 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 0.004032055912736139 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.6896,0.5063179,0.96038943,159.8398,0.2141422,0.72758077,0.012324051,0.85707072,0.23753625,0.85806438,0.40171742,0.7386403,0.35236729,0.77333137 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.26079 1.09993 -3.14794] (Cartesian), [-0.99999506 -0.49999325 -0.9999567 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.689632984987169,0.506316451920141,0.34532621340605224,73.43416475764408,0.4641431007452692,0.6205158925135636,0.7623249517544658,0.8571140167436699,0.5858246740162829,0.6080652832115576,0.4017607161928787,0.7153147696970139,0.10236818781311541,0.7733746702517807 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.01102578e-16 -3.55950073e-17] [ 0.00000000e+00 -1.00000000e+00 -3.47754187e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.689632984987169,0.506316451920141,0.34532621340605224,73.43416475764408,0.4641431007452692,0.6205158925135636,0.7623249517544658,0.8571140167436699,0.5858246740162829,0.6080652832115576,0.4017607161928787,0.7153147696970139,0.10236818781311541,0.7733746702517807 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 0.004039147377042643 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.5542,0.51005354,0.9625681,159.7931,0.211837,0.72513352,0.011822323,0.85442384,0.23537688,0.85742744,0.39935185,0.73743374,0.35229275,0.77265937 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.14029 1.09078 -3.092 ] (Cartesian), [-0.99999273 -0.49999243 -0.99996662] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.554239681520883,0.5100531991745597,0.3462513390989685,73.78588412169947,0.46183714969985457,0.6207170964351187,0.7618224767709472,0.8544572191487412,0.5860324512003119,0.6074275966561271,0.3993852310035191,0.7147817907631298,0.10229290220486223,0.772692751640979 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -4.17046255e-17 2.73475560e-17] [ 0.00000000e+00 -1.00000000e+00 -3.83789074e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.554239681520883,0.5100531991745597,0.3462513390989685,73.78588412169947,0.46183714969985457,0.6207170964351187,0.7618224767709472,0.8544572191487412,0.5860324512003119,0.6074275966561271,0.3993852310035191,0.7147817907631298,0.10229290220486223,0.772692751640979 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 0.004045116146642884 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.4204,0.5136098,0.96469289,159.7471,0.20980664,0.72286754,0.011279116,0.85195072,0.23333798,0.85684808,0.39712881,0.73622644,0.35219253,0.77198531 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.02155 1.0812 -3.0373 ] (Cartesian), [-0.99999749 -0.49999812 -0.99998432] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.420402282250189,0.5136103165922556,0.3471781252275913,74.12713837609401,0.45980632368061947,0.6209190149122306,0.7612787990725537,0.8519663950202101,0.5862113656433094,0.6068477618264063,0.3971444847801333,0.7142433314851824,0.10219220856413287,0.7720009877974789 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.35162404e-17 5.12817279e-20] [ 0.00000000e+00 1.00000000e+00 -8.19272212e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.420402282250189,0.5136103165922556,0.3471781252275913,74.12713837609401,0.45980632368061947,0.6209190149122306,0.7612787990725537,0.8519663950202101,0.5862113656433094,0.6068477618264063,0.3971444847801333,0.7142433314851824,0.10219220856413287,0.7720009877974789 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 0.004044882702668842 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.2894,0.51684078,0.96674066,159.7053,0.20801593,0.72080492,0.01070874,0.8496618,0.23147065,0.85632537,0.39510645,0.73502538,0.35208824,0.77130722 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.55993 -1.07107 -1.58316] (Cartesian), [-0.4999926 -0.99999243 -0.49998523] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.289448463104577,0.5168355262618745,0.3480442215456108,74.4548051449946,0.04198415599578054,0.6211506054034606,0.7392913447155951,0.8496765698664885,0.5863716785122526,0.8936747105775084,0.39512122210102607,0.21372563975197223,0.8979118416007046,0.771321997781282 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.55299881e-17 1.88008515e-17] [ 0.00000000e+00 -1.00000000e+00 1.99543493e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.289448463104577,0.5168355262618745,0.3480442215456108,74.4548051449946,0.04198415599578054,0.6211506054034606,0.7392913447155951,0.8496765698664885,0.5863716785122526,0.8936747105775084,0.39512122210102607,0.21372563975197223,0.8979118416007046,0.771321997781282 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 0.004044283387099943 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.162,0.51963979,0.96870865,159.6697,0.20642521,0.71893938,0.010120326,0.84754186,0.22978652,0.85585233,0.39330076,0.73383101,0.35199679,0.77062247 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.03977 -1.06032 -0.0549867] (Cartesian), [-5.84659811e-06 -4.99997832e-01 -5.62399358e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.1619823118701,0.5196467991636446,0.3488121005329076,74.76898772757035,0.4564292215173612,0.6213956771753661,0.7601243330549132,0.8475413005227448,0.5864839238936961,0.6058563397429264,0.3933001963140179,0.713206701058855,0.10200079827777378,0.7706219073825351 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 5.81003121e-17 -3.29132223e-17] [ 0.00000000e+00 -1.00000000e+00 4.87546753e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.1619823118701,0.5196467991636446,0.3488121005329076,74.76898772757035,0.4564292215173612,0.6213956771753661,0.7601243330549132,0.8475413005227448,0.5864839238936961,0.6058563397429264,0.3933001963140179,0.713206701058855,0.10200079827777378,0.7706219073825351 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 0.00404329793116805 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.038,0.52203284,0.97061458,159.6412,0.20499628,0.71724159,0.0095165748,0.84555555,0.22826264,0.85541836,0.39169076,0.73263785,0.35192949,0.76992785 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.35504 -1.04902 -1.51356] (Cartesian), [-0.50000076 -1.00000198 -0.499984 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.037990752288936,0.5220296785379874,0.3494674750204642,75.07258812003232,0.04500310478853364,0.6216846611713918,0.7404828132709822,0.8455715519034341,0.5865705088967474,0.8945810288732324,0.3917067615179244,0.212708627880267,0.8980699004485961,0.7699438479125678 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.50192637e-17 2.82056498e-17] [ 0.00000000e+00 -1.00000000e+00 -1.74000566e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=8.037990752288936,0.5220296785379874,0.3494674750204642,75.07258812003232,0.04500310478853364,0.6216846611713918,0.7404828132709822,0.8455715519034341,0.5865705088967474,0.8945810288732324,0.3917067615179244,0.212708627880267,0.8980699004485961,0.7699438479125678 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 0.004041911724815014 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.9172,0.52399838,0.97246501,159.6199,0.20369933,0.71567332,0.0088965738,0.84365952,0.22685666,0.85501131,0.39023581,0.73143838,0.35189509,0.76922106 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.97883 -1.03715 -0.0439116] (Cartesian), [-3.77217034e-06 -4.99998834e-01 -1.57472812e-05] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.917183259502364,0.5240046663131082,0.3500067921029374,75.36998627546156,0.45370180301820073,0.6220124965264464,0.7588990428209595,0.8436437712816307,0.5866195411077366,0.6050137787123706,0.3902200644692908,0.7122160130184219,0.10189755869653135,0.7692053155009846 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.79188856e-17 -1.07837542e-17] [ 0.00000000e+00 1.00000000e+00 -2.46615421e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.917183259502364,0.5240046663131082,0.3500067921029374,75.36998627546156,0.45370180301820073,0.6220124965264464,0.7588990428209595,0.8436437712816307,0.5866195411077366,0.6050137787123706,0.3902200644692908,0.7122160130184219,0.10189755869653135,0.7692053155009846 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 0.00404009932279229 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.7992,0.52560519,0.97431788,159.6063,0.20251181,0.71419358,0.0082585164,0.84180657,0.22551665,0.85461827,0.38888708,0.73022591,0.35190316,0.7685017 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.16034 -1.02482 -1.4458 ] (Cartesian), [-0.49999166 -0.99999284 -0.49998259] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.799246933492489,0.5255982209276593,0.3504270483372433,75.66638361258727,0.047487600055915236,0.6223947649797947,0.7417408928433922,0.8418239769724465,0.586637326540935,0.8953811436570427,0.38890448877185446,0.21173196381431314,0.8980962538331738,0.7685191055522556 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -8.70829756e-17 2.03895174e-17] [ 0.00000000e+00 -1.00000000e+00 -3.17502079e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.799246933492489,0.5255982209276593,0.3504270483372433,75.66638361258727,0.047487600055915236,0.6223947649797947,0.7417408928433922,0.8418239769724465,0.586637326540935,0.8953811436570427,0.38890448877185446,0.21173196381431314,0.8980962538331738,0.7685191055522556 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 0.0040378321704738025 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.684,0.52682197,0.97617126,159.6008,0.20141892,0.71277312,0.0075997819,0.83996083,0.22420362,0.8542267,0.38760869,0.72899685,0.35196436,0.76777235 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.37051 1.01203 -2.72463] (Cartesian), [-0.99999861 -0.49999821 -0.99998633] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.68400190509532,0.5268240196881062,0.35072108599580126,75.9657499211317,0.45141911682562974,0.6228138764120674,0.7575999813202619,0.8399745022756522,0.5865965181133028,0.6042268989866739,0.3876223620090482,0.7112260930932723,0.10196455497758519,0.7677860191940458 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.36622526e-16 -7.35476568e-18] [ 0.00000000e+00 -1.00000000e+00 -4.25654763e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.68400190509532,0.5268240196881062,0.35072108599580126,75.9657499211317,0.45141911682562974,0.6228138764120674,0.7575999813202619,0.8399745022756522,0.5865965181133028,0.6042268989866739,0.3876223620090482,0.7112260930932723,0.10196455497758519,0.7677860191940458 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 0.004035085400710933 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.5714,0.52768312,0.97803577,159.604,0.20041075,0.7113963,0.006917169,0.83810031,0.22289711,0.8538247,0.38638229,0.7277501,0.35208973,0.76703764 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.18902 0.998825 -1.32255 ] (Cartesian), [-5.00002434e-01 -1.30124245e-06 -5.00008612e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.57139150434899,0.5276825195481788,0.35087844588812317,76.2703081643159,0.049589812768285224,0.6232941165951114,0.743083397567339,0.8380917028012962,0.5865129568075582,0.8961758693688202,0.38637367733772443,0.21071058659751452,0.8979108413487998,0.7670290302707559 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 3.59376808e-17 2.47134791e-17] [0.00000000e+00 1.00000000e+00 6.80608137e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.57139150434899,0.5276825195481788,0.35087844588812317,76.2703081643159,0.049589812768285224,0.6232941165951114,0.743083397567339,0.8380917028012962,0.5865129568075582,0.8961758693688202,0.38637367733772443,0.21071058659751452,0.8979108413487998,0.7670290302707559 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 0.0040318325782403505 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.4614,0.52817166,0.97993674,159.6169,0.19948045,0.71004719,0.0062085082,0.83620194,0.22157325,0.85339891,0.38518628,0.72648771,0.35229154,0.76630519 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.1728 0.985226 -2.62033 ] (Cartesian), [-0.99999979 -0.49999765 -0.99999631] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.4614052907286,0.5281695646604815,0.35088579516931556,76.58227775276313,0.44948151331252784,0.37615602251696023,0.24379255855545157,0.16380175095824345,0.413614303325577,0.3966021529024514,0.6148174105492605,0.2898187588879575,0.8977095316191233,0.2336984983622974 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 9.58036667e-19 1.49950284e-17] [ 0.00000000e+00 -1.00000000e+00 7.58953984e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.4614052907286,0.5281695646604815,0.35088579516931556,76.58227775276313,0.44948151331252784,0.37615602251696023,0.24379255855545157,0.16380175095824345,0.413614303325577,0.3966021529024514,0.6148174105492605,0.2898187588879575,0.8977095316191233,0.2336984983622974 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 0.004028052622050722 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.3541,0.52827674,0.98186046,159.6403,0.19862377,0.7087074,0.0054733009,0.83423968,0.22020169,0.85293388,0.38399245,0.72521388,0.35258244,0.76558431 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.11935 0.97125 -1.2754 ] (Cartesian), [-5.00009228e-01 -8.76324615e-06 -5.00030939e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.354052470585239,0.5282796663725103,0.35072759123954717,76.90418658049538,0.05137646204757507,0.6244587292770452,0.7445269316782774,0.8342087365080071,0.5862002430438273,0.8970663558260098,0.383961514395351,0.2096205773326676,0.897417788429675,0.7655533675348076 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.64049301e-16 9.82595755e-18] [ 0.00000000e+00 -1.00000000e+00 4.40945018e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.354052470585239,0.5282796663725103,0.35072759123954717,76.90418658049538,0.05137646204757507,0.6244587292770452,0.7445269316782774,0.8342087365080071,0.5862002430438273,0.8970663558260098,0.383961514395351,0.2096205773326676,0.897417788429675,0.7655533675348076 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 0.004023734763023331 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.2494,0.52800232,0.98386073,159.6757,0.19783827,0.70734712,0.0047131764,0.8321744,0.21873504,0.85241081,0.38275555,0.72393259,0.35297499,0.76488376 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.81235 -0.956924 -0.0109269] (Cartesian), [-5.52087606e-06 -5.00003090e-01 -2.01898424e-05] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A2B5_mC28_15_f_e2f on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.5, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.249361605648304,0.5280071293297284,0.35038280141520245,77.2403693093471,0.44783948781400607,0.6251684234921582,0.7547143919184103,0.8321542053524464,0.5859751773047417,0.6024120249140525,0.3827353636337554,0.709044524862315,0.10297620438583467,0.7648635676547024 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.22936987e-16 6.32246850e-18] [0.00000000e+00 1.00000000e+00 3.01035689e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=7.249361605648304,0.5280071293297284,0.35038280141520245,77.2403693093471,0.44783948781400607,0.6251684234921582,0.7547143919184103,0.8321542053524464,0.5859751773047417,0.6024120249140525,0.3827353636337554,0.709044524862315,0.10297620438583467,0.7648635676547024 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 0.0038708940044316666 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3894,0.42353416,0.42812615,80.3684,0.55117286,0.87963755,0.31067514,0.089440512,0.90539278,0.04560039,0.39047211,0.78461088,0.62139711,0.2853968 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17973e+01 2.94739e-07 -2.40368e+00] (Cartesian), [-0.99999694 -0.99999681 -0.4999971 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.389421113795247,0.42353540121719346,0.4281269199184074,80.36841271600882,0.551172916858834,0.6203655793577034,0.18932492592662928,0.9105623832212792,0.09461034513032973,0.9543996706567078,0.6095307882352956,0.7153922400697503,0.8786029517070815,0.714606090332502 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.02531445e-16 3.00075707e-17] [ 0.00000000e+00 1.00000000e+00 -5.49180029e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.389421113795247,0.42353540121719346,0.4281269199184074,80.36841271600882,0.551172916858834,0.6203655793577034,0.18932492592662928,0.9105623832212792,0.09461034513032973,0.9543996706567078,0.6095307882352956,0.7153922400697503,0.8786029517070815,0.714606090332502 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 0.0038708104469186854 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.3996,0.42342714,0.42796238,80.372,0.55107103,0.87955556,0.31081076,0.089555035,0.90533899,0.045147135,0.38997142,0.78461851,0.62124117,0.28559894 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.00515e-05 5.97538e-08 -5.81039e-06] (Cartesian), [-1.68483415e-06 -1.66007547e-06 -1.20827878e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.39955329392605,0.42342851642668894,0.4279628124275341,80.37196187223066,0.44892898286030736,0.6204427660936129,0.8108107740750263,0.910443756253839,0.09465934162845069,0.0451471473459779,0.6100273752179115,0.7153798175881108,0.12124118305636707,0.7143998487852812 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.37953708e-17 -3.33750287e-17] [ 0.00000000e+00 1.00000000e+00 -2.80966371e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.39955329392605,0.42342851642668894,0.4279628124275341,80.37196187223066,0.44892898286030736,0.6204427660936129,0.8108107740750263,0.910443756253839,0.09465934162845069,0.0451471473459779,0.6100273752179115,0.7153798175881108,0.12124118305636707,0.7143998487852812 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 0.0038707284039053848 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4097,0.42332401,0.42780266,80.3753,0.55096843,0.8794748,0.31094084,0.089669319,0.90528456,0.044701481,0.38947538,0.78462684,0.62107851,0.28580609 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.08348e-01 1.39335e-07 -2.40614e+00] (Cartesian), [-6.27816000e-07 -5.70120155e-07 -4.99997123e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.40969219512835,0.42332289163510356,0.4278042607291583,80.37533000333126,0.5509684618015074,0.37947420401157816,0.8109408658311337,0.08967219552632422,0.9052839633942256,0.04470150980528255,0.3894782536317898,0.28462624214656684,0.1210785340285387,0.28580896601471006 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.03869537e-16 -1.50367353e-18] [ 0.00000000e+00 1.00000000e+00 -1.54890926e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.40969219512835,0.42332289163510356,0.4278042607291583,80.37533000333126,0.5509684618015074,0.37947420401157816,0.8109408658311337,0.08967219552632422,0.9052839633942256,0.04470150980528255,0.3894782536317898,0.28462624214656684,0.1210785340285387,0.28580896601471006 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 0.003870648772837083 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4198,0.42322107,0.42765197,80.3784,0.55086472,0.87939512,0.31106553,0.089783369,0.90522942,0.044263087,0.38898342,0.78463596,0.62090922,0.28601826 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22369e+01 9.35745e-08 -4.81278e+00] (Cartesian), [-0.99999306 -0.99999302 -0.99999832] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.419844130942979,0.4232184375900857,0.4276510219667309,80.37842859152626,0.44913530129904067,0.6206118386978641,0.8110655468365178,0.9102183090714728,0.09477754741566935,0.04426310630229312,0.6110182557596175,0.7153710043896513,0.12090923581030405,0.7139834163857157 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.29845465e-16 3.18247907e-18] [0.00000000e+00 1.00000000e+00 3.18247907e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.419844130942979,0.4232184375900857,0.4276510219667309,80.37842859152626,0.44913530129904067,0.6206118386978641,0.8110655468365178,0.9102183090714728,0.09477754741566935,0.04426310630229312,0.6110182557596175,0.7153710043896513,0.12090923581030405,0.7139834163857157 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 0.0038705716290876944 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.43,0.42311461,0.42750656,80.3813,0.55075984,0.8793164,0.31118509,0.089897283,0.9051735,0.043831445,0.3884951,0.7846459,0.6207335,0.28623535 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18388e+01 -1.10538e-07 -2.40608e+00] (Cartesian), [-0.99999791 -0.99999796 -0.5000074 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.430015990105192,0.42311497903717393,0.42750277919416163,80.38126007299402,0.5507598137767163,0.3793184693020011,0.8111850673477007,0.08988987907701396,0.9051755714095167,0.04383142190642015,0.38848769508626946,0.28464796757576893,0.12073347342293374,0.2862279487225301 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 -9.5716387e-17 -5.7670209e-18] [ 0.0000000e+00 -1.0000000e+00 -2.9301639e-18] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.430015990105192,0.42311497903717393,0.42750277919416163,80.38126007299402,0.5507598137767163,0.3793184693020011,0.8111850673477007,0.08988987907701396,0.9051755714095167,0.04383142190642015,0.38848769508626946,0.28464796757576893,0.12073347342293374,0.2862279487225301 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 0.0038704971960655844 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4402,0.42301708,0.42736141,80.3838,0.55065372,0.87923849,0.31129977,0.090011206,0.9051168,0.043406063,0.38800999,0.78465669,0.62055155,0.28645726 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18492e+01 -5.34946e-07 -2.40683e+00] (Cartesian), [-0.99999437 -0.99999459 -0.50000706] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.440214351842885,0.42301233245692377,0.4273592606974065,80.3838431786754,0.5506536112646689,0.6207670320209397,0.1887001146740696,0.9099817329249451,0.0948887280779076,0.9565938263047302,0.6119829475960139,0.7153488351111637,0.8794483368365899,0.7135356754395659 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.50943577e-16 -1.80503349e-17] [ 0.00000000e+00 1.00000000e+00 -7.01882906e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.440214351842885,0.42301233245692377,0.4273592606974065,80.3838431786754,0.5506536112646689,0.6207670320209397,0.1887001146740696,0.9099817329249451,0.0948887280779076,0.9565938263047302,0.6119829475960139,0.7153488351111637,0.8794483368365899,0.7135356754395659 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 0.0038704259689710265 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4504,0.42291099,0.42722525,80.3862,0.55054626,0.87916128,0.31140985,0.090125209,0.90505926,0.04298648,0.38752767,0.78466835,0.62036371,0.2866838 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18597e+01 -1.29374e-07 -2.40766e+00] (Cartesian), [-0.99999597 -0.99999602 -0.50001022] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.450444846394527,0.42291036427762924,0.4272202258108874,80.38618712157754,0.5505462305159473,0.3791652875660454,0.811409822133422,0.09011499065677064,0.9050632630452282,0.04298645316732358,0.3875174467212341,0.284672350213385,0.12036367863630015,0.2866735850816382 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -9.23225967e-17 8.72928616e-18] [ 0.00000000e+00 -1.00000000e+00 -1.90262895e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.450444846394527,0.42291036427762924,0.4272202258108874,80.38618712157754,0.5505462305159473,0.3791652875660454,0.811409822133422,0.09011499065677064,0.9050632630452282,0.04298645316732358,0.3875174467212341,0.284672350213385,0.12036367863630015,0.2866735850816382 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 0.0038703581534622914 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4607,0.42281013,0.42708561,80.3883,0.5504374,0.87908465,0.3115155,0.090239377,0.90500086,0.042572343,0.38704774,0.78468089,0.62017007,0.28691493 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18702e+01 -1.29325e-07 -2.40848e+00] (Cartesian), [-0.99999446 -0.99999451 -0.49999848] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.460714250955562,0.4228088363659851,0.4270854595540713,80.38830343699637,0.5504373688952755,0.6209208657985128,0.18848446896884247,0.9097621476932884,0.09500465772559497,0.9574276306350379,0.6129537808684677,0.7153246231525088,0.8798298989131565,0.7130865899349392 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.35162030e-07 -1.00000044e+00 -2.14399638e-08] [-1.00000062e+00 -1.35162030e-07 -5.41469043e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.460714250955562,0.4228088363659851,0.4270854595540713,80.38830343699637,0.5504373688952755,0.6209208657985128,0.18848446896884247,0.9097621476932884,0.09500465772559497,0.9574276306350379,0.6129537808684677,0.7153246231525088,0.8798298989131565,0.7130865899349392 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 0.0038702936196927445 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.471,0.42270944,0.42695493,80.3902,0.55032707,0.87900848,0.31161693,0.090353795,0.90494157,0.042163263,0.38656987,0.78469435,0.61997086,0.28715055 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22906e+01 9.66512e-08 -4.82368e+00] (Cartesian), [-0.99999494 -0.9999949 -0.99999725] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.471028530269624,0.4227075308035046,0.42695478585440955,80.39021434595172,0.449672950462882,0.6209965975794334,0.8116169499429957,0.9096489562917378,0.09506351237248545,0.042163282960196204,0.6134328804873745,0.7153107244077106,0.11997087855366322,0.7128521991902399 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.05701756e-07 1.00000001e+00 -1.40171523e-08] [ 1.00000030e+00 2.05701756e-07 3.57378022e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.471028530269624,0.4227075308035046,0.42695478585440955,80.39021434595172,0.449672950462882,0.6209965975794334,0.8116169499429957,0.9096489562917378,0.09506351237248545,0.042163282960196204,0.6134328804873745,0.7153107244077106,0.11997087855366322,0.7128521991902399 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 0.0038702326341897913 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4814,0.42260526,0.42682948,80.3919,0.55021522,0.87893267,0.31171431,0.090468539,0.90488136,0.041758903,0.3860937,0.78470874,0.61976625,0.28739057 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.10096e-01 -9.47311e-08 -2.41575e+00] (Cartesian), [-2.58684222e-07 -2.97731617e-07 -5.00004222e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.481393047703376,0.4226062611692712,0.42682805769659904,80.39194124762662,0.5502151986989343,0.3789323885396456,0.811714289280046,0.09046431664838694,0.9048810806293619,0.041758883783950304,0.3860894803174253,0.2847084630656167,0.11976622795898385,0.28738634432733856 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.08492193e-07 -9.99999659e-01 3.91473087e-08] [-9.99999950e-01 -2.08492193e-07 -1.12623122e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.481393047703376,0.4226062611692712,0.42682805769659904,80.39194124762662,0.5502151986989343,0.3789323885396456,0.811714289280046,0.09046431664838694,0.9048810806293619,0.041758883783950304,0.3860894803174253,0.2847084630656167,0.11976622795898385,0.28738634432733856 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 0.00387017535328657 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.4918,0.42250126,0.42670426,80.3935,0.55010175,0.87885712,0.31180784,0.090583824,0.90482024,0.041358793,0.38561904,0.78472406,0.61955639,0.2876349 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23125e+01 5.09331e-07 -4.82867e+00] (Cartesian), [-0.99999619 -0.99999599 -0.99999727] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.491812005001064,0.42250503516414806,0.4267050353522082,80.39354627163507,0.44989835257008215,0.37886103211301636,0.18819226934484898,0.09058655272368732,0.9048241545167057,0.9586413117671968,0.3856217693764985,0.2847279681564261,0.8804437160468523,0.2876376249420103 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.32345252e-16 2.03094811e-17] [ 0.00000000e+00 -1.00000000e+00 3.83751086e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.491812005001064,0.42250503516414806,0.4267050353522082,80.39354627163507,0.44989835257008215,0.37886103211301636,0.18819226934484898,0.09058655272368732,0.9048241545167057,0.9586413117671968,0.3856217693764985,0.2847279681564261,0.8804437160468523,0.2876376249420103 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 0.003870122388238071 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5023,0.42240248,0.42658425,80.395,0.54998686,0.87878173,0.31189755,0.090699718,0.90475814,0.040962948,0.38514553,0.78474034,0.61934116,0.28788376 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.21311e-01 7.20957e-08 -4.83747e+00] (Cartesian), [-5.03929556e-07 -4.74252039e-07 -9.99996163e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.50229348559706,0.4224033559345528,0.42658571637406073,80.39500199768833,0.45001315672367836,0.3787812425111896,0.18810246507490433,0.09070355581675771,0.9047576510993236,0.9590370667344899,0.385149370832087,0.2847398522092808,0.8806588516250418,0.2878875923925559 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -2.66670516e-17 9.40504735e-18] [ 0.00000000e+00 1.00000000e+00 -4.47274045e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.50229348559706,0.4224033559345528,0.42658571637406073,80.39500199768833,0.45001315672367836,0.3787812425111896,0.18810246507490433,0.09070355581675771,0.9047576510993236,0.9590370667344899,0.385149370832087,0.2847398522092808,0.8806588516250418,0.2878875923925559 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 0.003870073591571665 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5128,0.42230387,0.42647314,80.3964,0.5498702,0.8787064,0.31198372,0.090816305,0.90469507,0.040570681,0.38467286,0.7847576,0.61912106,0.28813671 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.19237e+01 -6.73675e-08 -2.41374e+00] (Cartesian), [-0.99999225 -0.99999227 -0.50000643] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.512840116575733,0.42230143548689564,0.4264698041337067,80.39638355258766,0.5498701909901712,0.6213013382835659,0.18801626998437773,0.9091772636650632,0.09531267097989238,0.9594293046717893,0.6153207116609138,0.7152501408339542,0.880878921398943,0.7118568565795771 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.35371365e-16 2.93110646e-17] [ 0.00000000e+00 1.00000000e+00 -3.92438237e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.512840116575733,0.42230143548689564,0.4264698041337067,80.39638355258766,0.5498701909901712,0.6213013382835659,0.18801626998437773,0.9091772636650632,0.09531267097989238,0.9594293046717893,0.6153207116609138,0.7152501408339542,0.880878921398943,0.7118568565795771 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 0.003870028950979875 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5235,0.42219812,0.42635484,80.3977,0.54975181,0.87863105,0.31206639,0.09093369,0.90463098,0.040181835,0.38420082,0.78477585,0.61889595,0.28839388 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.11261e-01 -3.43165e-08 -2.42188e+00] (Cartesian), [-1.72260945e-06 -1.73671639e-06 -4.99998387e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.523457489937496,0.42219906617736086,0.4263572268775449,80.39769416369437,0.5497517984170754,0.6213672219776805,0.18793360619765323,0.9090679232330379,0.09536728738451372,0.9598181577460556,0.615800795194847,0.7152224154597824,0.8811040399335369,0.7116077290190561 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.08174802e-16 -2.06513521e-18] [ 0.00000000e+00 1.00000000e+00 -4.99429698e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.523457489937496,0.42219906617736086,0.4263572268775449,80.39769416369437,0.5497517984170754,0.6213672219776805,0.18793360619765323,0.9090679232330379,0.09536728738451372,0.9598181577460556,0.615800795194847,0.7152224154597824,0.8811040399335369,0.7116077290190561 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 0.0038699908036890916 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5342,0.42209256,0.42624543,80.3989,0.54963134,0.87855557,0.31214586,0.09105201,0.90456584,0.039796117,0.38372891,0.7847951,0.61866631,0.28865528 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.23113e-01 -2.21174e-07 -4.84701e+00] (Cartesian), [-2.13872349e-06 -2.22958232e-06 -9.99998335e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.534153637540472,0.42209595773407715,0.4262477674312614,80.39894673015016,0.4503686162042614,0.6214422453559107,0.8121458105610866,0.9089496548666065,0.09543197148880411,0.03979607119321458,0.616272752869456,0.7152027179756608,0.11866626914726947,0.7113463881582374 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 6.71971713e-17 -2.39528874e-17] [ 0.00000000e+00 -1.00000000e+00 8.62182783e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.534153637540472,0.42209595773407715,0.4262477674312614,80.39894673015016,0.4503686162042614,0.6214422453559107,0.8121458105610866,0.9089496548666065,0.09543197148880411,0.03979607119321458,0.616272752869456,0.7152027179756608,0.11866626914726947,0.7113463881582374 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 0.0038699559430197847 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5449,0.42199586,0.42614488,80.4002,0.54950962,0.87847992,0.3122218,0.091171552,0.90449964,0.03941337,0.3832575,0.78481542,0.61843115,0.28892115 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.19567e+01 2.28203e-07 -2.41746e+00] (Cartesian), [-0.99999272 -0.99999263 -0.50000891] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.54492906899318,0.42199231317478186,0.4261414280408852,80.40020923379178,0.5495096656834557,0.37848724924854293,0.8122218431611576,0.09116264362334392,0.9045069690514489,0.039413416680477445,0.38324859160755986,0.28482274976941313,0.11843119890429195,0.288912236956139 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.28184631e-07 -9.99999759e-01 8.88521309e-10] [-9.99999441e-01 2.28184631e-07 5.59479322e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.54492906899318,0.42199231317478186,0.4261414280408852,80.40020923379178,0.5495096656834557,0.37848724924854293,0.8122218431611576,0.09116264362334392,0.9045069690514489,0.039413416680477445,0.38324859160755986,0.28482274976941313,0.11843119890429195,0.288912236956139 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 0.00386992714781987 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5558,0.42188338,0.42603714,80.4015,0.54938565,0.87840396,0.31229466,0.091292276,0.90443233,0.039033199,0.38278579,0.7848368,0.61819146,0.28919124 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.24323e-01 -3.81513e-07 -4.85369e+00] (Cartesian), [-1.60908884e-07 -3.17419110e-07 -9.99996656e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.555793389135578,0.4218876853657708,0.4260380385955946,80.401466356662,0.450614275916275,0.6215958034286606,0.8122945866104601,0.90871106768622,0.09556743403594159,0.03903312080650529,0.6172175517686342,0.7151629652223797,0.11819137746420112,0.710812100418228 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -6.04030700e-17 -4.62683144e-18] [ 0.00000000e+00 1.00000000e+00 -1.30476721e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.555793389135578,0.4218876853657708,0.4260380385955946,80.401466356662,0.450614275916275,0.6215958034286606,0.8122945866104601,0.90871106768622,0.09556743403594159,0.03903312080650529,0.6172175517686342,0.7151629652223797,0.11819137746420112,0.710812100418228 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 0.003869904020191485 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5668,0.42178476,0.42593457,80.4027,0.5492594,0.87832765,0.31236449,0.091414107,0.90436379,0.038655383,0.38231362,0.78485929,0.61794693,0.28946542 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.12497e-01 -4.79482e-07 -2.42856e+00] (Cartesian), [-1.80497060e-06 -2.00153398e-06 -4.99996754e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.566753552831834,0.42178216338990615,0.42593715690797324,80.40267893649782,0.5492593061696232,0.6216704448052268,0.18763540867686018,0.9085891391012353,0.09563430808321938,0.9613445183850746,0.6176896289271663,0.7151388058413155,0.8820529741172167,0.7105378241972058 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 6.87691285e-07 1.00000036e+00 7.47260309e-08] [ 9.99999405e-01 -6.87691285e-07 -9.11123840e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.566753552831834,0.42178216338990615,0.42593715690797324,80.40267893649782,0.5492593061696232,0.6216704448052268,0.18763540867686018,0.9085891391012353,0.09563430808321938,0.9613445183850746,0.6176896289271663,0.7151388058413155,0.8820529741172167,0.7105378241972058 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 0.0038698872759880816 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.5778,0.42167769,0.42584083,80.404,0.54913113,0.87825081,0.31243123,0.091537773,0.90429411,0.038279638,0.38184081,0.78488285,0.61769756,0.28974438 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.19906e+01 1.84095e-07 -2.42151e+00] (Cartesian), [-0.99999935 -0.99999928 -0.50000418] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.57781138854847,0.42167542078139925,0.4258392959399505,80.40399476010914,0.5491311635858647,0.37825149291979754,0.8124312667783536,0.0915335953446883,0.9042947971953685,0.038279675412746385,0.3818366360729737,0.28488353433836333,0.11769759833603292,0.2897401988567241 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -9.49960812e-17 -1.52975074e-17] [ 0.00000000e+00 1.00000000e+00 -2.48311914e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.57781138854847,0.42167542078139925,0.4258392959399505,80.40399476010914,0.5491311635858647,0.37825149291979754,0.8124312667783536,0.0915335953446883,0.9042947971953685,0.038279675412746385,0.3818366360729737,0.28488353433836333,0.11769759833603292,0.2897401988567241 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 0.0038694982922931787 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.589,0.42156355,0.42573993,80.4054,0.54900065,0.8781734,0.31249498,0.091663157,0.90422322,0.037905834,0.38136721,0.7849076,0.61744321,0.29002785 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.26247e-01 2.81712e-07 -4.86421e+00] (Cartesian), [-1.79747315e-06 -1.68214816e-06 -9.99988638e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.588974216134735,0.4215673051403085,0.4257441421723932,80.4054062302697,0.45099940445014974,0.3781716647243878,0.18750507664330127,0.09167451916409308,0.9042214776757835,0.962094223348683,0.3813785720112266,0.2849058594392273,0.8825568487920347,0.2900392133751992 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.92341512e-16 2.76013513e-18] [ 0.00000000e+00 -1.00000000e+00 5.76093203e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.588974216134735,0.4215673051403085,0.4257441421723932,80.4054062302697,0.45099940445014974,0.3781716647243878,0.18750507664330127,0.09167451916409308,0.9042214776757835,0.962094223348683,0.3813785720112266,0.2849058594392273,0.8825568487920347,0.2900392133751992 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 0.003866697702504946 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6002,0.42145825,0.42565645,80.4069,0.54886773,0.87809534,0.31255586,0.091790348,0.90415099,0.037533699,0.38089249,0.7849335,0.6171841,0.2903159 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.20136e+01 -1.33566e-07 -2.42443e+00] (Cartesian), [-0.99999158 -0.99999163 -0.50001068] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.600249435924454,0.42145759254514265,0.425651641662246,80.4069035534889,0.5488677049394528,0.3781037380058847,0.812555831006187,0.09177966759774492,0.9041593904463125,0.03753367194319928,0.38088181382314934,0.2849418957550591,0.11718407507167448,0.29030521973779777 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 6.95428153e-07 -9.99999532e-01 8.24953928e-08] [-1.00000050e+00 -6.95428153e-07 -8.50622227e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.600249435924454,0.42145759254514265,0.425651641662246,80.4069035534889,0.5488677049394528,0.3781037380058847,0.812555831006187,0.09177966759774492,0.9041593904463125,0.03753367194319928,0.38088181382314934,0.2849418957550591,0.11718407507167448,0.29030521973779777 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 0.003863870180725374 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6116,0.4213459,0.42556581,80.4086,0.54873242,0.87801651,0.31261388,0.091919822,0.90407749,0.037162877,0.38041657,0.78496062,0.61691998,0.29060875 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.20253e+01 -2.10057e-07 -2.42590e+00] (Cartesian), [-0.99999032 -0.99999041 -0.50000726] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.611640731439868,0.42134639232510146,0.4255616675137538,80.40858422313556,0.5487323734699956,0.3780261484101206,0.8126138362084762,0.09191256432838335,0.904087123398299,0.03716283389271046,0.3804093093200316,0.28497025557407185,0.11691993782552605,0.29060149196096985 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.30401823e-07 -1.00000069e+00 -6.51000961e-08] [-1.00000037e+00 2.30401823e-07 -9.60364817e-09] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.611640731439868,0.42134639232510146,0.4255616675137538,80.40858422313556,0.5487323734699956,0.3780261484101206,0.8126138362084762,0.09191256432838335,0.904087123398299,0.03716283389271046,0.3804093093200316,0.28497025557407185,0.11691993782552605,0.29060149196096985 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 0.0038610136811519946 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6232,0.42123512,0.42547663,80.4105,0.54859442,0.8779368,0.31266906,0.092051927,0.90400266,0.036793133,0.37993935,0.78498897,0.61665078,0.29090668 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.14125e-01 3.51399e-07 -2.43780e+00] (Cartesian), [-1.93368504e-06 -1.79014147e-06 -5.00008891e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.623153607378566,0.4212333763580673,0.42547442715237566,80.4105113687201,0.5485944886753746,0.37793494089528146,0.8126691320468675,0.09204303604518982,0.9040008020402361,0.03679320441555607,0.3799304568635251,0.2849871126263692,0.11665084766942291,0.29089778704652214 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.12699394e-16 -2.55940204e-18] [ 0.00000000e+00 1.00000000e+00 1.43584931e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.623153607378566,0.4212333763580673,0.42547442715237566,80.4105113687201,0.5485944886753746,0.37793494089528146,0.8126691320468675,0.09204303604518982,0.9040008020402361,0.03679320441555607,0.3799304568635251,0.2849871126263692,0.11665084766942291,0.29089778704652214 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 0.003858125564969057 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6348,0.42111596,0.42538763,80.4126,0.5484539,0.87785614,0.31272139,0.092186411,0.90392633,0.036424406,0.37946016,0.78501865,0.61637635,0.29120961 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.64624 -2.4498 -4.87399] (Cartesian), [-2.76512688e-06 -9.99996558e-01 -9.99993182e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.63480130323675,0.42111852906416297,0.4253892208817974,80.41255525503271,0.45154920831478307,0.37785647653553545,0.18728170986229856,0.09219322875786662,0.9039266666307835,0.9635786973834043,0.3794669825007406,0.2850189841954158,0.8836267575407345,0.2912164276869462 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 4.00062037e-17 -1.15979593e-17] [ 0.00000000e+00 -1.00000000e+00 -7.84080307e-20] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.63480130323675,0.42111852906416297,0.4253892208817974,80.41255525503271,0.45154920831478307,0.37785647653553545,0.18728170986229856,0.09219322875786662,0.9039266666307835,0.9635786973834043,0.3794669825007406,0.2850189841954158,0.8836267575407345,0.2912164276869462 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 0.0038552037609652064 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6466,0.4209984,0.42530867,80.4149,0.54831036,0.87777437,0.31277096,0.092324153,0.90384858,0.036056225,0.37897929,0.78504963,0.61609662,0.29151801 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.14767e-01 -2.56504e-07 -2.44174e+00] (Cartesian), [-6.15133642e-07 -7.19760179e-07 -5.00006190e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.646583746037818,0.42100158595579673,0.4253066568449187,80.41494063601709,0.5483103126079611,0.37777369867486166,0.8127709082473504,0.09231796294314298,0.9038479077398467,0.03605617221521291,0.3789730980070236,0.28504895788799867,0.11609657227263687,0.2915118191553059 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.17937737e-17 1.20212172e-17] [ 0.00000000e+00 1.00000000e+00 1.21117700e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.646583746037818,0.42100158595579673,0.4253066568449187,80.41494063601709,0.5483103126079611,0.37777369867486166,0.8127709082473504,0.09231796294314298,0.9038479077398467,0.03605617221521291,0.3789730980070236,0.28504895788799867,0.11609657227263687,0.2915118191553059 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 0.0038522455779247886 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6585,0.42088605,0.42522623,80.4177,0.54816372,0.87769137,0.31281774,0.092465301,0.9037693,0.035688389,0.37849638,0.78508197,0.61581146,0.29183201 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.24886e+01 3.25856e-07 -4.87577e+00] (Cartesian), [-0.99999447 -0.99999433 -0.99999615] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.658511217812608,0.42088240018752227,0.42522642494998714,80.4176546483947,0.45183634626240554,0.6223142308130019,0.8128178064192716,0.9075385492207333,0.09623630456375643,0.03568845578486838,0.6215074723591847,0.7149236260477911,0.11581152266389644,0.7081718364565328 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.58027974e-19 1.01302850e-18] [ 0.00000000e+00 1.00000000e+00 -3.29066221e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.658511217812608,0.42088240018752227,0.42522642494998714,80.4176546483947,0.45183634626240554,0.6223142308130019,0.8128178064192716,0.9075385492207333,0.09623630456375643,0.03568845578486838,0.6215074723591847,0.7149236260477911,0.11581152266389644,0.7081718364565328 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 0.0038492481936684354 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6706,0.42075814,0.42514524,80.4208,0.54801363,0.87760701,0.31286175,0.092610571,0.9036885,0.035320471,0.37801154,0.78511572,0.61552062,0.29215205 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.30816e-01 2.53859e-07 -4.89163e+00] (Cartesian), [-1.29700413e-06 -1.19361033e-06 -9.99988876e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.670587696920519,0.42076084025769855,0.42514875968023214,80.42084092728217,0.4519864224719503,0.37760576022095327,0.18713830457182887,0.09262169488885763,0.9036872561068574,0.9646795802585648,0.3780226623025509,0.28511447370472265,0.8844794318191124,0.2921631766323638 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -5.15515454e-17 -1.55047108e-17] [ 0.00000000e+00 -1.00000000e+00 -3.92082113e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.670587696920519,0.42076084025769855,0.42514875968023214,80.42084092728217,0.4519864224719503,0.37760576022095327,0.18713830457182887,0.09262169488885763,0.9036872561068574,0.9646795802585648,0.3780226623025509,0.28511447370472265,0.8844794318191124,0.2921631766323638 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 0.0038462083674014815 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6828,0.42063546,0.42507789,80.4244,0.54786003,0.87752115,0.31290294,0.092759682,0.90360598,0.034952508,0.37752376,0.78515095,0.61522404,0.29247808 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.20985e+01 -2.58430e-07 -2.43525e+00] (Cartesian), [-0.99999479 -0.99999489 -0.5000105 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.682829945184992,0.42063656773782987,0.4250731222952621,80.42436446394962,0.5478599792533587,0.3775263073724888,0.8129028832701105,0.09274917763176682,0.903611140213272,0.034952455028235796,0.3775132537944841,0.2851561134815195,0.1152239842200295,0.2924675784314159 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 8.81411822e-08 -9.99999983e-01 7.40060585e-09] [-1.00000011e+00 -8.81411821e-08 -1.37816078e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.682829945184992,0.42063656773782987,0.4250731222952621,80.42436446394962,0.5478599792533587,0.3775263073724888,0.8129028832701105,0.09274917763176682,0.903611140213272,0.034952455028235796,0.3775132537944841,0.2851561134815195,0.1152239842200295,0.2924675784314159 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 0.003843122559153358 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.6952,0.4205144,0.42500342,80.4285,0.54770258,0.8774336,0.31294131,0.092913785,0.90352177,0.034583973,0.37703383,0.78518769,0.61492127,0.29281086 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.16952e+01 3.20667e-07 1.33621e-02] (Cartesian), [-9.99997132e-01 -9.99997002e-01 -4.24127837e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.695238433194715,0.42050956941785345,0.42499986121092886,80.4284700674496,0.45229748747836185,0.6225693340485521,0.8129413730020442,0.9070819733849376,0.096481164094264,0.03458403853639605,0.6229619272324984,0.7148152400885766,0.11492133999441222,0.7071849035680893 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.09188476e-17 -1.82159506e-17] [ 0.00000000e+00 1.00000000e+00 -4.33816277e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.695238433194715,0.42050956941785345,0.42499986121092886,80.4284700674496,0.45229748747836185,0.6225693340485521,0.8129413730020442,0.9070819733849376,0.096481164094264,0.03458403853639605,0.6229619272324984,0.7148152400885766,0.11492133999441222,0.7071849035680893 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 0.003839985435655567 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7078,0.42037787,0.42493039,80.4329,0.54754095,0.87734423,0.31297677,0.09307252,0.90343559,0.034214935,0.37654044,0.78522607,0.61461211,0.29315049 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17078e+01 -2.11511e-07 1.40039e-02] (Cartesian), [-9.99997351e-01 -9.99997437e-01 -3.32764496e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.707836137341644,0.42037914925153375,0.424928473671591,80.43294411804393,0.45245900554199137,0.6226583771970085,0.8129767314409766,0.9069241527896712,0.09656701897128084,0.03421489154717189,0.6234562371820827,0.7147765329068054,0.11461206657987782,0.7068461870331038 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.58908699e-07 1.00000048e+00 5.24136442e-08] [ 1.00000012e+00 -2.58908700e-07 -9.74270957e-09] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.707836137341644,0.42037914925153375,0.424928473671591,80.43294411804393,0.45245900554199137,0.6226583771970085,0.8129767314409766,0.9069241527896712,0.09656701897128084,0.03421489154717189,0.6234562371820827,0.7147765329068054,0.11461206657987782,0.7068461870331038 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 0.003836797847864635 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7206,0.42024299,0.4248588,80.4385,0.54737468,0.87725275,0.31300944,0.093238373,0.90334784,0.033844087,0.37604516,0.78526597,0.61429662,0.29349762 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.25539e+01 3.51952e-07 -4.89460e+00] (Cartesian), [-0.99999801 -0.99999786 -0.99999303] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.720607816269613,0.4202460142298008,0.42485988850363615,80.43845253319367,0.45262538692576415,0.3772548107950746,0.18699063408104355,0.09324534619485947,0.9033499003427594,0.9661559839896878,0.3760521331937343,0.2852680392257383,0.8857034468337932,0.29350459563843234 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 7.42951252e-07 -9.99999560e-01 8.34882228e-08] [-1.00000060e+00 -7.42951252e-07 -9.47589349e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.720607816269613,0.4202460142298008,0.42485988850363615,80.43845253319367,0.45262538692576415,0.3772548107950746,0.18699063408104355,0.09324534619485947,0.9033499003427594,0.9661559839896878,0.3760521331937343,0.2852680392257383,0.8857034468337932,0.29350459563843234 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 0.0038335523835835153 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7336,0.42010977,0.42479716,80.4448,0.5472035,0.87715903,0.31303911,0.093411071,0.90325814,0.033471653,0.375547,0.78530758,0.61397416,0.29385284 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.16974e-01 1.23725e-07 -2.45709e+00] (Cartesian), [-6.86763216e-07 -6.36564261e-07 -5.00008659e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.73357657794807,0.4201093683736328,0.4247937776590259,80.44475129098294,0.5472035269421544,0.37715836955829607,0.8130391352657154,0.09340241153846085,0.9032574766251311,0.03347167763432985,0.3755383405746251,0.28530692163766935,0.11397418773148173,0.29384418344018437 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.31661143e-07 -9.99999675e-01 3.92326508e-08] [-1.00000000e+00 -2.31661143e-07 -1.63074625e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.73357657794807,0.4201093683736328,0.4247937776590259,80.44475129098294,0.5472035269421544,0.37715836955829607,0.8130391352657154,0.09340241153846085,0.9032574766251311,0.03347167763432985,0.3755383405746251,0.28530692163766935,0.11397418773148173,0.29384418344018437 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 0.003830243535253931 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7468,0.41996969,0.42472844,80.4518,0.54702636,0.87706276,0.31306577,0.093590638,0.9031663,0.033097495,0.3750451,0.78535096,0.61364456,0.29421611 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.17260e-01 -2.60130e-07 -2.45946e+00] (Cartesian), [-1.21417914e-06 -1.31963852e-06 -5.00000811e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.746767202484525,0.41996863268052065,0.4247292039150905,80.4518014029509,0.5470263120646073,0.6229359711004674,0.18693417310732116,0.906408551307123,0.09683243222561044,0.9669024526654781,0.6249540886423002,0.7146477716669537,0.8863553916557578,0.7057830825975402 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.18347109e-16 2.91091704e-17] [0.00000000e+00 1.00000000e+00 1.30807253e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.746767202484525,0.41996863268052065,0.4247292039150905,80.4518014029509,0.5470263120646073,0.6229359711004674,0.18693417310732116,0.906408551307123,0.09683243222561044,0.9669024526654781,0.6249540886423002,0.7146477716669537,0.8863553916557578,0.7057830825975402 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 0.003826867436369083 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7602,0.41982279,0.42466965,80.4599,0.5468428,0.87696365,0.31308925,0.093778593,0.90307234,0.032721008,0.37453984,0.78539615,0.6133074,0.29458867 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.17531e-01 -1.73411e-08 -2.46196e+00] (Cartesian), [-7.63613607e-07 -7.70638277e-07 -5.00006050e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.760177281956896,0.4198236290017557,0.4246674858031971,80.4598638756017,0.5468427923579362,0.3769628782797716,0.8130892450095609,0.09377254328014661,0.9030715722851241,0.0327210041476734,0.37453379474600457,0.2853953807969982,0.11330739725970622,0.2945826160879774 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.17933883e-07 -9.99999873e-01 2.42601482e-08] [-1.00000018e+00 -2.17933882e-07 -2.79021530e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.760177281956896,0.4198236290017557,0.4246674858031971,80.4598638756017,0.5468427923579362,0.3769628782797716,0.8130892450095609,0.09377254328014661,0.9030715722851241,0.0327210041476734,0.37453379474600457,0.2853953807969982,0.11330739725970622,0.2945826160879774 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 0.0038234189962145708 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7738,0.41967759,0.42461227,80.4694,0.5466523,0.8768614,0.3131095,0.093977564,0.90297641,0.032340979,0.37403245,0.7854432,0.61296235,0.29497135 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.21915e+01 2.17213e-07 -2.44593e+00] (Cartesian), [-0.99999408 -0.99999399 -0.50000973] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.773810098661475,0.41967474193229903,0.4246086430621834,80.46939836874711,0.5466523483452372,0.37686736119901143,0.8131095412793876,0.09396783297421063,0.9029823726659181,0.03234102255248024,0.3740227218684087,0.2854491578298344,0.11296239821168962,0.29496162154204386 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.30528216e-07 -1.00000031e+00 -5.24891121e-09] [-1.00000063e+00 -2.30528216e-07 -6.03692412e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.773810098661475,0.41967474193229903,0.4246086430621834,80.46939836874711,0.5466523483452372,0.37686736119901143,0.8131095412793876,0.09396783297421063,0.9029823726659181,0.03234102255248024,0.3740227218684087,0.2854491578298344,0.11296239821168962,0.29496162154204386 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 0.00381989471217527 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.7877,0.41952204,0.42455271,80.4806,0.54645421,0.87675563,0.31312644,0.09418833,0.90287845,0.031956898,0.37352268,0.78549204,0.61260902,0.29536453 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.17999e-01 9.94778e-08 -2.46710e+00] (Cartesian), [-6.79235601e-07 -6.39003443e-07 -5.00003134e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.787686991664433,0.41952152575293855,0.4245520136595358,80.48064965292488,0.5464542330617911,0.37675497041396633,0.8131264605048261,0.09418519646928858,0.902877791838286,0.03195691813215312,0.373519550546201,0.28549137881795295,0.11260904095215062,0.29536139549635676 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.92113324e-07 -1.00000040e+00 -4.85100315e-08] [-9.99999989e-01 2.92113324e-07 2.12522010e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.787686991664433,0.41952152575293855,0.4245520136595358,80.48064965292488,0.5464542330617911,0.37675497041396633,0.8131264605048261,0.09418519646928858,0.902877791838286,0.03195691813215312,0.373519550546201,0.28549137881795295,0.11260904095215062,0.29536139549635676 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 0.0038162834908413374 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8018,0.41936823,0.42450304,80.4937,0.54624676,0.87664582,0.31313989,0.094412496,0.90277824,0.031568244,0.37301016,0.78554289,0.61224703,0.29576951 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22200e+01 4.38229e-07 -2.44844e+00] (Cartesian), [-1.00000065 -1.00000047 -0.50001157] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.80182060552854,0.4193632996480738,0.4244984356121194,80.49366745565594,0.5462468520912728,0.3766452620065188,0.8131399813286564,0.09440092850919868,0.9027776854751319,0.03156833235695364,0.37299859198000673,0.28554233259384154,0.11224711889535988,0.2957579464155693 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.57769108e-16 2.15342589e-17] [ 0.00000000e+00 -1.00000000e+00 3.08569861e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.80182060552854,0.4193632996480738,0.4244984356121194,80.49366745565594,0.5462468520912728,0.3766452620065188,0.8131399813286564,0.09440092850919868,0.9027776854751319,0.03156833235695364,0.37299859198000673,0.28554233259384154,0.11224711889535988,0.2957579464155693 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 0.003812579684459749 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8162,0.41920414,0.42445118,80.5089,0.54602888,0.8765314,0.31314956,0.094652574,0.90267587,0.031173963,0.37249577,0.7855957,0.61187586,0.29618737 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22345e+01 2.89785e-07 -2.44948e+00] (Cartesian), [-0.99999606 -0.99999594 -0.50000884] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.816224336819358,0.41919990933590945,0.42444796569483184,80.50894124168452,0.5460289387576016,0.37653539693821014,0.8131496145030145,0.09464373864233111,0.9026798689195603,0.031174021668240685,0.37248693257301957,0.2855997004776203,0.11187591980767694,0.2961785393173395 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 2.58173878e-16 3.50972651e-18] [ 0.00000000e+00 -1.00000000e+00 1.73875143e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.816224336819358,0.41919990933590945,0.42444796569483184,80.50894124168452,0.5460289387576016,0.37653539693821014,0.8131496145030145,0.09464373864233111,0.9026798689195603,0.031174021668240685,0.37248693257301957,0.2855997004776203,0.11187591980767694,0.2961785393173395 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 0.0038087744395259816 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8309,0.41902983,0.42440558,80.527,0.54579866,0.87641166,0.31315522,0.09491158,0.90257138,0.030772792,0.37198026,0.78565049,0.61149508,0.29661953 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22493e+01 -1.10695e-07 -2.45035e+00] (Cartesian), [-0.99999675 -0.99999679 -0.50001047] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.830910988677067,0.41903103032990735,0.4244010190193808,80.52697191918647,0.5457986365866188,0.376414894922221,0.8131552021987184,0.09490111190757777,0.9025746065388733,0.0307727698173532,0.3719697905981494,0.2856537180549241,0.11149505522642963,0.29660906524438735 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.05249510e-16 4.05761689e-18] [ 0.00000000e+00 1.00000000e+00 7.52692647e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.830910988677067,0.41903103032990735,0.4244010190193808,80.52697191918647,0.5457986365866188,0.376414894922221,0.8131552021987184,0.09490111190757777,0.9025746065388733,0.0307727698173532,0.3719697905981494,0.2856537180549241,0.11149505522642963,0.29660906524438735 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 0.003804857601800345 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8459,0.41885378,0.42435779,80.5484,0.54555379,0.87628573,0.31315658,0.095193327,0.90246485,0.03036314,0.37146469,0.78570724,0.61110422,0.29706771 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.18492e-01 2.41650e-07 -2.47836e+00] (Cartesian), [-2.88333130e-07 -1.90927538e-07 -4.99998669e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.84589532080152,0.4188562646736508,0.4243581046176891,80.54839477131644,0.5455538400941906,0.6237140295213144,0.1868434701530319,0.9048080044375557,0.09753490946201615,0.9696369083543757,0.628536638959917,0.7142925223427306,0.8888958248049884,0.7029336170910088 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 6.21159626e-08 -1.00000046e+00 -2.75649081e-08] [-1.00000054e+00 -6.21159628e-08 -4.22950353e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.84589532080152,0.4188562646736508,0.4243581046176891,80.54839477131644,0.5455538400941906,0.6237140295213144,0.1868434701530319,0.9048080044375557,0.09753490946201615,0.9696369083543757,0.628536638959917,0.7142925223427306,0.8888958248049884,0.7029336170910088 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 0.003800816747623183 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8612,0.41867602,0.42431626,80.5741,0.54529113,0.87615233,0.31315307,0.095502682,0.90235649,0.029943212,0.37095064,0.78576586,0.61070273,0.297534 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.36909e-01 -1.40448e-07 -4.96281e+00] (Cartesian), [-6.01196620e-07 -6.57760603e-07 -9.99988183e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.861191996854716,0.41867519850995566,0.4243199255988751,80.57406155799067,0.45470884140631984,0.376151697833798,0.18684689848765323,0.09551449896551278,0.9023558623060135,0.9700567598795182,0.37096245827790186,0.28576523332630055,0.8892972372798644,0.29754581342273 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.84226015e-16 -3.37512477e-18] [ 0.00000000e+00 -1.00000000e+00 1.05026630e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.861191996854716,0.41867519850995566,0.4243199255988751,80.57406155799067,0.45470884140631984,0.376151697833798,0.18684689848765323,0.09551449896551278,0.9023558623060135,0.9700567598795182,0.37096245827790186,0.28576523332630055,0.8892972372798644,0.29754581342273 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 0.003796637250075104 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8768,0.41848814,0.42428937,80.6051,0.54500645,0.87600994,0.31314418,0.095846451,0.90224662,0.029510209,0.3704405,0.78582623,0.61029023,0.29802117 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22951e+01 5.47661e-08 -2.45108e+00] (Cartesian), [-1.00000087 -1.00000085 -0.50000526] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.876815718265105,0.4184873130561931,0.4242875444128466,80.60512401788102,0.5450064619727986,0.37600908173015823,0.8131441938248534,0.09584118791786822,0.9022457557450274,0.029510219568071098,0.37043523260134203,0.2858253745201189,0.11029024312473995,0.2980159071271957 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-4.30071179e-08 -1.00000000e+00 -3.16796834e-09] [-9.99999942e-01 4.30071180e-08 6.97102059e-09] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.876815718265105,0.4184873130561931,0.4242875444128466,80.60512401788102,0.5450064619727986,0.37600908173015823,0.8131441938248534,0.09584118791786822,0.9022457557450274,0.029510219568071098,0.37043523260134203,0.2858253745201189,0.11029024312473995,0.2980159071271957 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 0.0037922992376241012 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.8928,0.4182951,0.4242651,80.6432,0.54469376,0.87585629,0.31312899,0.096233884,0.90213574,0.029060585,0.36993761,0.78588809,0.60986623,0.29853289 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.18052e-01 4.21252e-07 -2.48799e+00] (Cartesian), [-5.64593905e-07 -3.95234623e-07 -5.00007173e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.892782868505634,0.4182919222047452,0.42426245602612783,80.64319421057496,0.5446938468280851,0.3758558079562835,0.813129079515365,0.09622671042440745,0.902135262801143,0.029060669899074375,0.3699304367047591,0.28588761047053235,0.1098663188743667,0.2985257156486385 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.57850327e-07 -1.00000025e+00 2.58678683e-10] [-1.00000062e+00 -2.57850327e-07 -6.02906141e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.892782868505634,0.4182919222047452,0.42426245602612783,80.64319421057496,0.5446938468280851,0.3758558079562835,0.813129079515365,0.09622671042440745,0.902135262801143,0.029060669899074375,0.3699304367047591,0.28588761047053235,0.1098663188743667,0.2985257156486385 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 0.0037877763757613813 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9091,0.41809205,0.424247,80.6906,0.54434421,0.87568803,0.31310611,0.096678432,0.90202474,0.028589164,0.36944717,0.78595095,0.6094304,0.29907428 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.27442e+01 3.96097e-07 -4.94026e+00] (Cartesian), [-1.00000139 -1.00000123 -0.99999953] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.909110114674545,0.4180880208753437,0.42424696495236336,80.69060894372359,0.4556558681439721,0.624310653189516,0.8131061927612999,0.9033220416463204,0.0979739442362717,0.02858924384282756,0.6305533090987896,0.7140477338633342,0.1094304764878674,0.70092619105387 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.24431460e-07 -1.00000012e+00 6.10261857e-10] [-1.00000029e+00 -1.24431459e-07 -2.84655583e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.909110114674545,0.4180880208753437,0.42424696495236336,80.69060894372359,0.4556558681439721,0.624310653189516,0.8131061927612999,0.9033220416463204,0.0979739442362717,0.02858924384282756,0.6305533090987896,0.7140477338633342,0.1094304764878674,0.70092619105387 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 0.0037830299457305623 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9258,0.41787553,0.42424827,80.7509,0.54394405,0.87550008,0.31307344,0.097200448,0.90191504,0.028088131,0.36897709,0.78601403,0.60898251,0.2996529 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23425e+01 4.89707e-08 -2.44622e+00] (Cartesian), [-0.99999404 -0.99999402 -0.50000982] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.925816851650346,0.4178740594352236,0.4242446676951946,80.75092682729841,0.5439440604022091,0.37550605109400337,0.8130734459414422,0.09719063185857002,0.9019210088356278,0.028088140979664365,0.3689672710135805,0.2860199965553787,0.10898251921469135,0.29964308122121297 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.91629055e-16 1.22100719e-17] [ 0.00000000e+00 1.00000000e+00 1.22100719e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.925816851650346,0.4178740594352236,0.4242446676951946,80.75092682729841,0.5439440604022091,0.37550605109400337,0.8130734459414422,0.09719063185857002,0.9019210088356278,0.028088140979664365,0.3689672710135805,0.2860199965553787,0.10898251921469135,0.29964308122121297 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 0.0037779976906536098 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9429,0.41764563,0.42426044,80.83,0.54347023,0.87528374,0.31302715,0.0978333,0.9018091,0.027544826,0.36854074,0.78607583,0.60852263,0.3002809 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23585e+01 -2.40356e-07 -2.44184e+00] (Cartesian), [-0.9999984 -0.99999849 -0.49999383] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.942931132027647,0.4176471070124276,0.4242615620253135,80.8299658279943,0.5434701805639495,0.3752852947040015,0.8130271035246337,0.09783946592362414,0.9018106562889652,0.02754477808992185,0.36854690784777633,0.28607738761804136,0.10852258002142047,0.3002870664460908 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.85555810e-07 9.99999898e-01 5.63776998e-09] [ 9.99999637e-01 -1.85555810e-07 -3.70923469e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.942931132027647,0.4176471070124276,0.4242615620253135,80.8299658279943,0.5434701805639495,0.3752852947040015,0.8130271035246337,0.09783946592362414,0.9018106562889652,0.02754477808992185,0.36854690784777633,0.28607738761804136,0.10852258002142047,0.3002870664460908 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 0.003772565392904137 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9605,0.41739894,0.424305,80.9382,0.54287978,0.87502288,0.31296001,0.098637283,0.90171149,0.026936333,0.36816204,0.78613359,0.60805124,0.30098011 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.27883e+01 2.30903e-07 -4.93834e+00] (Cartesian), [-1. -0.99999991 -0.99998461] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.96050862292345,0.4174009167899922,0.4243085382054759,80.9382242468274,0.4571202699759359,0.3750229249074124,0.18704003627127938,0.09865267608715267,0.9017115378355403,0.9730637127525299,0.36817743276889225,0.28613363820796067,0.8919488031783315,0.30099550168321354 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.28288726e-16 -8.71513188e-18] [ 0.00000000e+00 -1.00000000e+00 1.73661201e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.96050862292345,0.4174009167899922,0.4243085382054759,80.9382242468274,0.4571202699759359,0.3750229249074124,0.18704003627127938,0.09865267608715267,0.9017115378355403,0.9730637127525299,0.36817743276889225,0.28613363820796067,0.8919488031783315,0.30099550168321354 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 0.0037664738140449168 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9787,0.41711538,0.42441166,81.0985,0.54207602,0.87468106,0.31285489,0.09974368,0.90163208,0.026212747,0.36789201,0.78618112,0.60756935,0.30179826 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23896e+01 -3.96648e-07 -2.42333e+00] (Cartesian), [-1.00000143 -1.00000159 -0.50000553] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.978705916422182,0.41711894350581696,0.42440913904986177,81.09847579568049,0.5420759368489998,0.3746795488531489,0.8128548096636868,0.0997381470374259,0.9016305693200113,0.02621266790273736,0.3678864789633085,0.2861796105449572,0.10756927339562965,0.3017927318785736 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -2.08154409e-16 2.09173302e-17] [ 0.00000000e+00 -1.00000000e+00 -5.22134874e-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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.978705916422182,0.41711894350581696,0.42440913904986177,81.09847579568049,0.5420759368489998,0.3746795488531489,0.8128548096636868,0.0997381470374259,0.9016305693200113,0.02621266790273736,0.3678864789633085,0.2861796105449572,0.10756927339562965,0.3017927318785736 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 0.003758818279194686 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.9983,0.41673404,0.42463516,81.3842,0.54073256,0.87413616,0.31265159,0.10157789,0.90160154,0.02521107,0.36788968,0.78619927,0.60707615,0.30289329 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.05711e-01 -1.52375e-07 -2.51493e+00] (Cartesian), [-1.52085229e-06 -1.58180122e-06 -4.99997666e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=11.998256885796277,0.4167344834134613,0.42463731070713395,81.38416192774572,0.5407325245361336,0.6258622837186179,0.18734837538833748,0.898424441974383,0.09839690799021605,0.9747888991444231,0.6321126514278521,0.7137991774129577,0.892923819109194,0.6971090465347403 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-4.01955309e-07 1.00000008e+00 -2.05611455e-08] [ 1.00000064e+00 4.01955309e-07 6.65849018e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=11.998256885796277,0.4167344834134613,0.42463731070713395,81.38416192774572,0.5407325245361336,0.6258622837186179,0.18734837538833748,0.898424441974383,0.09839690799021605,0.9747888991444231,0.6321126514278521,0.7137991774129577,0.892923819109194,0.6971090465347403 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 0.0036837241372365253 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=12.1269,0.40763097,0.429945,84.9134,0.51625114,0.86652164,0.30876278,0.12387462,0.90261938,0.016783309,0.37235035,0.78563835,0.60621135,0.31319131 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.24512e+01 -1.10935e-06 -2.10527e+00] (Cartesian), [-0.99999915 -0.9999996 -0.50000901] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=12.126929971192267,0.4076260856783312,0.4299412900575179,84.9134451671895,0.5162509166710368,0.366522258336206,0.8087625529803268,0.12386561189667744,0.9026199995056872,0.0167830842005651,0.3723413452171238,0.2856389758078661,0.10621112359243616,0.31318230183885354 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.25237811e-16 5.95927341e-19] [ 0.00000000e+00 1.00000000e+00 5.95927341e-19] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=12.126929971192267,0.4076260856783312,0.4299412900575179,84.9134451671895,0.5162509166710368,0.366522258336206,0.8087625529803268,0.12386561189667744,0.9026199995056872,0.0167830842005651,0.3723413452171238,0.2856389758078661,0.10621112359243616,0.31318230183885354 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 0.003617427256953244 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=12.4119,0.40826143,0.42304563,86.5032,0.45953751,0.86096422,0.29840081,0.13943951,0.89809825,0.010805944,0.39147527,0.78641062,0.58796114,0.33361883 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.29969e+01 -1.31208e-07 -4.54500e+00] (Cartesian), [-0.99999899 -0.99999904 -0.99999789] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --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=A2B5_mC28_15_f_e2f --params=12.411919857134603,0.4082597125705884,0.423045673118945,86.50319639737941,0.5404624662235007,0.6390367655247993,0.7984007876961743,0.8605626001776074,0.10190272920900112,0.010805917789045306,0.6085268457510429,0.7135903605265517,0.08796111158384594,0.6663832849870699 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.91837602e-07 -9.99999991e-01 -4.71070252e-09] [-9.99999717e-01 1.91837602e-07 1.22603858e-08] [ 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 A2B5_mC28_15_f_e2f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --params=12.411919857134603,0.4082597125705884,0.423045673118945,86.50319639737941,0.5404624662235007,0.6390367655247993,0.7984007876961743,0.8605626001776074,0.10190272920900112,0.010805917789045306,0.6085268457510429,0.7135903605265517,0.08796111158384594,0.6663832849870699 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B5_mC28_15_f_e2f --parameter_symbols_only