INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.7691 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.7691 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 3 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 0.011224620483093731 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpey6ho6yz | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cF4_225_a-001: Face-Centered Cubic (Cu, $A1$, fcc) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.68 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [0 0 0] (Cartesian), [0. 0. 0.] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --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_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.81368146e-07 -3.10530897e-08] [ 0.00000000e+00 -3.18631854e-07 9.99999743e-01] [ 0.00000000e+00 9.99999956e-01 3.18631854e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cF4_225_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.449 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.449 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 3 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 0.011224620483093731 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpssfp06yg | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cF4_225_a-001: Face-Centered Cubic (Cu, $A1$, fcc) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.68 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [0 0 0] (Cartesian), [0. 0. 0.] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --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_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125054e-07 9.99999767e-01 7.99622209e-17] [ 9.99999534e-01 -2.33125054e-07 -2.33125054e-07] [ 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_cF4_225_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6011 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6011 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 4 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 0.01122462048309373 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpl1syuizf | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cF4_225_a-001: Face-Centered Cubic (Cu, $A1$, fcc) Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.68 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [0 0 0] (Cartesian), [0. 0. 0.] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --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_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-9.33771879e-08 1.72841501e-07 1.00000048e+00] [-3.26502242e-07 9.99999673e-01 -7.80800573e-07] [ 1.00000051e+00 -2.51649558e-07 4.20535687e-07]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, 1.0, 0.0], [1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cF4_225_a that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp364qp48u --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmplocrc2o_ --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044697066844 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.680044614002395 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF4_225_a --params=3.6800446970539786 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1tuyx0j1 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.03563704e-18 -3.03563704e-18] [-3.03563704e-18 1.00000000e+00 3.03563704e-18] [ 3.03563704e-18 3.03563704e-18 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 9 Property Instances down to 3.