INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.1921,0.27467064,0.45133321,82.971,0.94271241,0.87955035,0.44178398,0.65364615,0.78567809,0.059238811,0.27133365,0.58534651 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 4.504551422152936 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 0.040407503583095764 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=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.1921,0.27467064,0.45133321,82.971,0.94271241,0.87955035,0.44178398,0.65364615,0.78567809,0.059238811,0.27133365,0.58534651 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 26 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:Automatically set max fractional residual for solving position equations to 0.004112495756451811 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp18uezw5n | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_mC16_12_4i-001: M-carbon Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222,0.27716331,0.45916287,82.9058,0.050558844,0.13364514,0.55097512,0.34605996,0.21120088,0.94098399,0.72573559,0.42128409 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.73808e+00 -3.54539e-15 -4.21785e+00] (Cartesian), [-0.99999711 -0.99999711 -0.99998778] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --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_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.54597419e-07 -1.00000020e+00 3.05280183e-09] [-1.00000064e+00 -2.54597420e-07 -5.05773457e-08] [ 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_mC16_12_4i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp0pa6iilz --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpw7mrmtdb --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_mC16_12_4i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_mC16_12_4i --params=9.222020901940512,0.2771672663452923,0.45916574731924137,82.90582037103447,0.9494440416406624,0.8663670809760189,0.4490277651785086,0.653952262827201,0.7888020095160841,0.05902823385035405,0.27426729797823235,0.5787281369481669 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpumnkldk8 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.