INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 56.327490013900686 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 0.950261204926603 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.883,1.1391972,0.87542494,0.15709997,0.85013575,0.6807677 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 21 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 0.0038906835912467463 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpnhg0zlu0 | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9357,1.0454647,0.894868,0.17003653,0.83948991,0.6720712 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.93569e+00 -1.58327e-06 -7.67929e-06] (Cartesian), [-9.99993868e-01 -9.99994482e-01 -1.73866387e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.26292432e-17 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 A_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 57.15804673986662 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 0.6654429276211551 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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9133,1.1162152,1.3733336,0.10134088,0.12560938,0.81864012 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 37 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 0.0038906835934615345 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpi42n1_rz | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.9357,1.0454647,0.894868,0.17003653,0.1605101,0.6720712 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.93569e+00 1.51581e-06 -7.65486e-06] (Cartesian), [-9.99994437e-01 -9.99993849e-01 -1.73313265e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --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_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-3.34695070e-08 -1.00000028e+00 0.00000000e+00] [-1.00000028e+00 3.34695071e-08 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_oC16_65_mn that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpe80mxbb3 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.91066242e-17 0.00000000e+00] [1.91066242e-17 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: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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpxp9_v54l --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.91066242e-17 0.00000000e+00] [1.91066242e-17 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: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_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718751696688,1.0454572060454292,0.8948598732394649,0.8299617347484485,0.8394896004958955,0.32792705812732015 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_oC16_65_mn --params=4.935718907599653,1.0454571785886184,0.8948598671099661,0.829961739780332,0.16051039013175983,0.32792706236845026 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1nq4o9mp --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.91066242e-17 0.00000000e+00] [1.91066242e-17 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.test_driver.core:Deduplicated 6 Property Instances down to 3.