INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.6664,0.45007688,0.60433614,0.93152738,0.2588458,0.87856864,0.53835909 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 1.6344342183340164 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=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=10.6664,0.45007688,0.60433614,0.93152738,0.2588458,0.87856864,0.53835909 --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 25 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[ 2.41473508e-14 -4.08562073e-14 1.42108547e-14] [-1.00752739e-13 -9.77959033e-14 -1.13867249e-14] [-4.66566349e-03 -4.66566349e-03 1.94568461e-14] [ 4.66566349e-03 4.66566349e-03 1.35653500e-14] [ 4.66566349e-03 -4.66566349e-03 -1.42106671e-14] [-4.66566349e-03 4.66566349e-03 -1.60984215e-14] [-7.32441853e-03 2.20683960e-03 7.99351703e-15] [ 7.32441853e-03 -2.20683960e-03 1.88738802e-14] [-2.20683960e-03 -7.32441853e-03 -9.32557886e-15] [ 2.20683960e-03 7.32441853e-03 -1.44331939e-14] [ 7.32441853e-03 2.20683960e-03 -2.13767067e-14] [-7.32441853e-03 -2.20683960e-03 -1.23475103e-14] [ 2.20683960e-03 -7.32441853e-03 1.03253687e-14] [-2.20683960e-03 7.32441853e-03 1.18235807e-14] [ 5.87258966e-04 -2.35352437e-03 1.84297969e-14] [-5.87258966e-04 2.35352437e-03 2.24264105e-14] [ 2.35352437e-03 5.87258966e-04 -1.24345215e-14] [-2.35352437e-03 -5.87258966e-04 -3.35287117e-14] [-5.87258966e-04 -2.35352437e-03 -1.59316058e-14] [ 5.87258966e-04 2.35352437e-03 -1.67737865e-14] [-2.35352437e-03 5.87258966e-04 2.22044369e-14] [ 2.35352437e-03 -5.87258966e-04 1.57651906e-14]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[-6.37706437e-04 -6.37706437e-04 -5.17087732e-04 -1.29521883e-16 -1.91687601e-16 -1.01886387e-15] 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 0.003188333322334793 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpkydpk4s8 | 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=A_tP22_136_af2i --params=9.6325,0.51907604,0.59617624,0.51217608,0.87246219,0.74511797,0.037280462 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.81623 -4.81623 -2.50001] (Cartesian), [-0.49999593 -0.49999593 -0.50000524] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --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:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.5] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.0] INFO:kim_tools.aflow_util.core:Failed to solve equations for prototype A_tP22_136_af2i on this shift attempt INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.5, 0.5, 0.5] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1. 0. 0.] [ 0. -1. 0.] [ 0. 0. 1.]] 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_tP22_136_af2i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpaelyx08o --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmprruig_kr --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_tP22_136_af2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_tP22_136_af2i --params=9.632538416529378,0.5190706137904807,0.40382783422405755,0.48782799166773283,0.12754188222226515,0.2548860964100137,0.9627236086506479 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp8mi7nmhc --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.