INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.8526,3.2612704,2.4208091,0.2525892,0.90672289,0.36062205,0.93798884 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 2.1041437507309118 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 0.0874839421869517 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=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.8526,3.2612704,2.4208091,0.2525892,0.90672289,0.36062205,0.93798884 --webpage INFO:kim_tools.test_driver.core:Minimization stopped after hitting the maximum of 200 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-6.61813364e-14 -2.15337443e-13 -5.40135219e-13] [-6.96303796e-14 -8.16387152e-13 1.91188764e-13] [-7.44285668e-14 -6.41931459e-04 4.83595109e-13] [-3.76792939e-14 6.41931461e-04 6.83026097e-13] [ 8.91124331e-14 8.78616720e-04 -1.16392515e-12] [ 7.03724789e-14 -8.78616720e-04 1.41835565e-12] [ 1.36089658e-14 1.05628876e-04 -3.78055191e-04] [ 3.34173315e-14 -1.05628876e-04 -3.78055192e-04] [ 1.62153937e-14 1.05628876e-04 3.78055192e-04] [ 3.24597635e-14 -1.05628876e-04 3.78055191e-04]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-3.33534234e-04 -1.99965838e-04 -1.90330049e-04 1.76449774e-14 2.68092400e-16 4.27343383e-17] 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 0.0038565115238236914 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpqst4ey6e | 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=A2B3_oC20_63_ac_cf --params=2.9728,3.2275632,2.0687904,0.26834324,0.92117466,0.34978763,0.94982292 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.35717e-05 2.89801e-07 -3.07504e+00] (Cartesian), [-4.59554199e-06 -4.53513460e-06 -4.99996471e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --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=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -1.22025826e-16 0.00000000e+00] [ 0.00000000e+00 -1.00000000e+00 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], [0.0, -1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A2B3_oC20_63_ac_cf that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --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=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp36hxg5xq --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=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpdo3wdv_j --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=A2B3_oC20_63_ac_cf --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A2B3_oC20_63_ac_cf --params=2.972769840668913,3.2275908167624943,2.0688192293016456,0.7316567907350748,0.07882537438520199,0.6502124035170346,0.9498264490254749 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmphvx9hf78 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.