INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487,0.54017355,0.40330575,0.47422541,0.13511037,0.75753757,0.046196819,0.19868096,0.25283166 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 8.150445652851595 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487,0.54017355,0.40330575,0.47422541,0.13511037,0.75753757,0.046196819,0.19868096,0.25283166 --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 9 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 6.06550720e+00 6.06550720e+00 -1.35889428e-14] [-6.06550720e+00 -6.06550720e+00 -2.13700382e-14] [-6.06550893e+00 6.06550893e+00 3.07297726e-14] [ 6.06550893e+00 -6.06550893e+00 2.95553377e-14] [ 1.90075614e-01 1.31715614e+00 -1.84050776e-14] [-1.90075614e-01 -1.31715614e+00 -1.83902098e-14] [-1.31714721e+00 1.90077436e-01 3.19632813e-14] [ 1.31714721e+00 -1.90077436e-01 3.15727007e-14] [-1.90077436e-01 1.31714721e+00 4.26274816e-14] [ 1.90077436e-01 -1.31714721e+00 3.46440409e-14] [ 1.31715614e+00 1.90075614e-01 -2.55358630e-14] [-1.31715614e+00 -1.90075614e-01 -2.79768868e-14] [ 8.15040588e+00 -2.33228391e+00 -5.81967120e-15] [-8.15040588e+00 2.33228391e+00 -1.31373869e-14] [ 2.33228209e+00 8.15040209e+00 3.25605344e-14] [-2.33228209e+00 -8.15040209e+00 3.66220081e-14] [-8.15040209e+00 -2.33228209e+00 4.02545843e-14] [ 8.15040209e+00 2.33228209e+00 3.67393824e-14] [-2.33228391e+00 8.15040588e+00 -1.60186619e-14] [ 2.33228391e+00 -8.15040588e+00 -1.86202965e-14] [-4.10040543e+00 -4.10040543e+00 -4.70012142e-01] [ 4.10040543e+00 4.10040543e+00 -4.70012142e-01] [ 4.10040637e+00 -4.10040637e+00 -4.69982471e-01] [-4.10040637e+00 4.10040637e+00 -4.69982471e-01] [ 4.10040637e+00 -4.10040637e+00 4.69982471e-01] [-4.10040637e+00 4.10040637e+00 4.69982471e-01] [-4.10040543e+00 -4.10040543e+00 4.70012142e-01] [ 4.10040543e+00 4.10040543e+00 4.70012142e-01]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-1.06431415e+00 -1.06431415e+00 -1.10294717e+00 -4.27052267e-16 -2.72460075e-16 -3.74049344e-08] 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 0.0032787753353578863 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpi61ajhvl | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry None: None INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487,0.54017355,0.40330575,0.95380321,0.24246232,0.86488964,0.52577457,0.19868094,0.74716831 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-10.487 -10.487 -5.6648] (Cartesian), [-0.9999997 -0.9999997 -0.99999968] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1. 0. 0.] [ 0. -1. 0.] [ 0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_tP28_136_f2ij that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpike_3iv1 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprjv8y0bz --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP28_136_f2ij --params=10.487003185104681,0.5401735574109007,0.5966945546804874,0.757537985007589,0.04619709729741528,0.47422573056627804,0.13511066177221975,0.8013193663970424,0.252832013535353 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpa644f_9v --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.