INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.7841,1.5753642,0.17633586,0.49655183,0.50994763,0.82982853 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 9.56815248138771 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 0.015066940970597662 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=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.7841,1.5753642,0.17633586,0.49655183,0.50994763,0.82982853 --webpage INFO:kim_tools.test_driver.core:The following exception was caught during minimization: INFO:kim_tools.test_driver.core:RuntimeError('LineSearch failed!') INFO:kim_tools.test_driver.core:Minimization stalled after 59 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 1.59466999e-12 1.81068579e-05 -3.20637885e-15] [-1.56810007e-05 -9.05342960e-06 -1.76206405e-15] [ 1.56809999e-05 -9.05342872e-06 -2.25313108e-15] [ 8.96327548e-13 -5.91795347e-06 2.24350232e-15] [ 5.12509858e-06 2.95897559e-06 3.96705131e-15] [-5.12509838e-06 2.95897619e-06 3.26415144e-15] [-2.94866100e-12 -2.10657562e-11 -4.40997452e-15] [ 6.08393070e-12 6.28200423e-12 2.71531182e-15] [ 3.18846108e-12 -3.99016892e-05 -4.02482390e-15] [ 3.45558599e-05 1.99508540e-05 -3.78410477e-15] [-3.45558609e-05 1.99508566e-05 -4.34257316e-15] [-5.85376395e-12 -1.35820409e-05 3.30266650e-15] [ 1.17623962e-05 6.79102146e-06 3.44228360e-15] [-1.17623975e-05 6.79101484e-06 3.77929039e-15]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-2.34420879e-06 -2.34420874e-06 4.88473034e-09 -1.50386936e-16 5.30148753e-17 -2.22421473e-15] 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 0.002673039173779487 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpw1pcfq8a | 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=A3B4_hP14_187_jk_adjk --params=4.7998,1.3004292,0.17140775,0.49252833,0.50479686,0.82589535 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.65050e-05 2.03841e-06 -6.24179e+00] (Cartesian), [-3.68391263e-06 -3.19352233e-06 -9.99995065e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --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=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 9.99999767e-01 -2.33125054e-07 0.00000000e+00] [ 9.99999534e-01 -9.99999767e-01 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [1.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A3B4_hP14_187_jk_adjk that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --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=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpep7cfjco --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=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpi9ebe22h --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=A3B4_hP14_187_jk_adjk --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B4_hP14_187_jk_adjk --params=4.79975458969113,1.3004458217971444,0.17140750301902227,0.4925280802847914,0.5047966175617957,0.8258951011597205 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2v0a89ek --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.