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 5 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/tmp62pb0df8 | 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=3.5225 --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=3.5225141363926356 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 1.81368146e-07 -3.10530899e-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=3.5225141363926356 --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=3.5225141363926356 --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=3.5225141363926356 --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=3.5225141363926356 --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=3.5225141363926356 --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=3.5225141363926356 --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=3.5225141363926356 --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 5 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/tmpmjbx_7kk | 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=3.5225 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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=3.5225141404777958 --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 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 0.01122462048309373 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmps0kix1ph | 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=3.5225 --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=3.5225141293447053 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 1.04132320e-16 -6.24583584e-18] [ 0.00000000e+00 -1.00000000e+00 -7.18187822e-18] [ 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_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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141293447053 --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=3.5225141363926356 --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=3.5225141404777958 --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=3.5225141293447053 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpbr5md5b4 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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=3.5225141363926356 --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=3.5225141404777958 --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=3.5225141293447053 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpqzafjj9d --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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=3.5225141363926356 --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=3.5225141404777958 --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=3.5225141293447053 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpqph9ao_l --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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 2.23222779e-17 2.23222779e-17] [ 2.23222779e-17 1.00000000e+00 -2.23222779e-17] [-2.23222779e-17 -2.23222779e-17 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.