INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.5124,1.6642254,0.062750617 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.39684706474365994 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_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.5124,1.6642254,0.062750617 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 10 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 0.00545561799943514 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpv1f5zdng | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_hP4_194_f-001: Lonsdaleite (Hexagonal Diamond) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.7305,1.632961,0.062499983 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.99113e-06 -3.45898e-06 -4.45878e+00] (Cartesian), [-1.46278045e-06 -2.92556057e-06 -9.99984579e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --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_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125055e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125055e-07 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, -1.0, 0.0], [-1.0, 0.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_hP4_194_f that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --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_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpr979ab1f --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_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp6s48aucq --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_hP4_194_f --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_hP4_194_f --params=2.730476035472192,1.6329931851103856,0.0625154037574227 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpe6_oz158 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.