INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0941,8.1799231,0.27491466,0.4748928,0.67489327,0.87501291,0.80001665,0.59995858,0.39995549,0.19990981,0.17501274,0.57517517,0.9749142,0.89991171,0.49997354,0.10001454,0.77517566,0.37517381,0.075175348,0.29997456,0.99997257,0.69997199 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.11615778754287032 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 0.02408388017648901 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=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0941,8.1799231,0.27491466,0.4748928,0.67489327,0.87501291,0.80001665,0.59995858,0.39995549,0.19990981,0.17501274,0.57517517,0.9749142,0.89991171,0.49997354,0.10001454,0.77517566,0.37517381,0.075175348,0.29997456,0.99997257,0.69997199 --webpage INFO:kim_tools.test_driver.core:Minimization converged after 24 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: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 0.003190464653109996 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmp8es01n7a | 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=AB_hP20_156_4a3b3c_4a3b3c --params=3.083,8.1649367,0.875,0.675,0.475,0.275,0.2,0.8,0.6,0.4,0.975,0.575,0.175,0.1,0.5,0.9,0.074999998,0.775,0.375,0.7,0.3,0 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.47452e-06 -3.69052e-07 -6.87338e-06] (Cartesian), [-1.38224632e-06 -1.52047088e-06 -2.73051307e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --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=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125054e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125054e-07 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 AB_hP20_156_4a3b3c_4a3b3c that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --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=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp1byj2e85 --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=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpf45id4c9 --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=AB_hP20_156_4a3b3c_4a3b3c --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB_hP20_156_4a3b3c_4a3b3c --params=3.0829872156561926,8.164965830586466,0.8749997306447654,0.6749997267541601,0.47499972755135644,0.2749997263350541,0.19999973147393746,0.7999997263912277,0.5999997233507006,0.399999728656129,0.9749997239677768,0.5749997287001039,0.17499973086347786,0.09999972905316445,0.4999997288014124,0.8999997270615343,0.07499972469382188,0.7749997237073591,0.3749997298372989,0.6999997264547462,0.29999972490597804,0.9999997277699455 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpjuiw7vg3 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.