INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0947,11.445794,0.12500581,0.3394197,0.55370349,0.9820652,0.76799098,0.92850683,0.71427041,0.49998105,0.28569517,0.071448827,0.8392917,0.053701694,0.26778602,0.41071898,0.69635676,0.99998378,0.21422164,0.35715942,0.64279114,0.78573303,0.48206864,0.62500602,0.91073311,0.19645099,0.14283871,0.42850091,0.57144885,0.85712116 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.10468924058479345 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.test_driver.core:The configuration you provided has a maximum stress component 0.022743222966879164 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0947,11.445794,0.12500581,0.3394197,0.55370349,0.9820652,0.76799098,0.92850683,0.71427041,0.49998105,0.28569517,0.071448827,0.8392917,0.053701694,0.26778602,0.41071898,0.69635676,0.99998378,0.21422164,0.35715942,0.64279114,0.78573303,0.48206864,0.62500602,0.91073311,0.19645099,0.14283871,0.42850091,0.57144885,0.85712116 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 27 steps. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 2 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.002851967734637397 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp7q1ncxjw | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry None: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.083,11.430911,0.125,0.33928572,0.55357143,0.98214286,0.76785714,0.92857143,0.71428571,0.5,0.071428575,0.28571429,0.83928572,0.26785715,0.053571428,0.41071428,0.69642857,1,0.78571428,0.64285714,0.35714285,0.21428572,0.19642857,0.48214286,0.625,0.91071428,0.85714286,0.57142857,0.14285714,0.42857143 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.58082e-06 -3.79424e-14 -9.58647e-06] (Cartesian), [-1.48583816e-06 -1.48583817e-06 -2.72022352e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 -3.3675048e-17 0.0000000e+00] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 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 AB_hP28_156_5a5b4c_5a5b4c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp6a4nqpsw --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp16hojjnu --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP28_156_5a5b4c_5a5b4c --params=3.0829871737175143,11.430952189001149,0.12499973051634061,0.3392854448048426,0.5535711587920318,0.9821425878187082,0.7678568697550239,0.9285711583294789,0.7142854424442502,0.4999997310027524,0.0714283025845881,0.2857140170037531,0.839285443087209,0.267856873880127,0.05357115569009441,0.4107140115031309,0.6964283018136901,0.9999997261610298,0.7857140126864262,0.6428568718888967,0.357142582887668,0.21428544522982063,0.19642829918077886,0.48214258839860147,0.6249997251771351,0.9107140125104465,0.857142585746371,0.5714282970496598,0.14285686963957733,0.42857115879174135 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpso2lfmz1 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.