INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.4432,0.87731083,0.50173313,0.71933153,0.77797272 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 3.1327075016061903 eV/angstrom. 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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.4432,0.87731083,0.50173313,0.71933153,0.77797272 --webpage INFO:kim_tools.test_driver.core:The following exception was caught during minimization: INFO:kim_tools.test_driver.core:RuntimeError('LineSearch failed!') INFO:kim_tools.test_driver.core:Minimization stalled after 20 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 3.36675132e-14 2.94822609e-14 -1.68476344e-14] [ 3.27552120e-03 -5.97843434e-14 2.23987495e-14] [-3.27552120e-03 1.19904087e-14 2.34742781e-14] [ 5.25438553e-15 -4.05231404e-15 -1.58206781e-14] [-2.27595720e-14 -2.41352077e-14 -1.44884105e-14] [ 1.07691633e-14 4.52658744e-14 -1.33226763e-14] [-1.05956910e-14 -9.38180180e-04 7.62920543e-15] [ 1.60774172e-14 9.38180180e-04 7.05577090e-15]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 1.95111957e-04 4.41014874e-05 -6.49610261e-06 2.40012319e-17 2.64013551e-17 2.47692713e-16] 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:Attempting to find NN distance by searching within covalent radii times 2 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.005283885342430729 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpzt0535dw | 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=A3B5_oC16_65_ah_bej --params=7.545,1.0877667,0.49502982,0.76516218,0.73346186 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.89426e-05 -0.00000e+00 -3.73499e+00] (Cartesian), [-2.51063249e-06 -2.51063249e-06 -9.99991388e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --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=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 4.88007846e-18 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 A3B5_oC16_65_ah_bej that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpkjnk5sqs --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp54ps0oh3 --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=A3B5_oC16_65_ah_bej --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B5_oC16_65_ah_bej --params=7.544951343214067,1.087778901471642,0.4950359513022323,0.765159672114496,0.7334618594374349 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpori5lmvn --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.