INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.0007083881257990143 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=A3B2_hP5_164_ad_d --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.372593569042582,1.280916675923352,0.637720504926838,0.14831622760213747 --webpage 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 0.005872144190794039 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3655,1.2805635,0.36224189,0.85160283 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.34131e-05 2.58135e-06 -5.59030e+00] (Cartesian), [-3.41394932e-06 -2.73116000e-06 -9.99998266e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.365455289783931,1.2805788450776943,0.6377598463980712,0.14839890506335363 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -4.12973214e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.365455289783931,1.2805788450776943,0.6377598463980712,0.14839890506335363 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 0.005872229221495902 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3646,1.2805297,0.36223647,0.8515918 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.17999e-06 4.19539e-07 -5.58899e+00] (Cartesian), [-5.54968379e-07 -4.43974768e-07 -9.99992137e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.364592733365316,1.2805396266314906,0.6377713913868335,0.1484160644240382 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125053e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125053e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.364592733365316,1.2805396266314906,0.6377713913868335,0.1484160644240382 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 0.005872325071126799 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3636,1.2805023,0.36223045,0.85157961 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.36359e+00 -1.59000e-06 -5.58760e+00] (Cartesian), [-0.99999119 -0.99999161 -0.99999978] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.363627539594168,1.28049453160122,0.6377697686856321,0.1484206013326803 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125052e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125053e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.363627539594168,1.28049453160122,0.6377697686856321,0.1484206013326803 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 0.0058724321201556184 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3625,1.2804585,0.36222366,0.85156586 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.36249e+00 -2.78980e-06 -5.58600e+00] (Cartesian), [-0.99998626 -0.999987 -0.99999967] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.362548320837512,1.2804446984505748,0.6377766759846044,0.14843447746731897 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125051e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125051e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.362548320837512,1.2804446984505748,0.6377766759846044,0.14843447746731897 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 0.005872551760656312 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3613,1.280398,0.36221603,0.85155042 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.36129e+00 -2.30938e-06 -5.58420e+00] (Cartesian), [-0.99998823 -0.99998884 -0.99999773] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.361339999713251,1.2803892117542812,0.637786241710737,0.14845184660131028 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.23046278e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.361339999713251,1.2803892117542812,0.637786241710737,0.14845184660131028 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 0.005872685678044611 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.36,1.2803211,0.36220748,0.85153304 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.82200e-06 5.43094e-07 -5.58219e+00] (Cartesian), [-7.19165650e-07 -5.75332556e-07 -9.99995352e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.359990593336966,1.2803275207032248,0.6377971654757442,0.14847161267823816 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125051e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125051e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.359990593336966,1.2803275207032248,0.6377971654757442,0.14847161267823816 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 0.0058728354111477685 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3585,1.280257,0.3621979,0.85151347 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04357e-06 9.70636e-07 -4.47265e-06] (Cartesian), [-1.28576083e-06 -1.02860854e-06 -8.01552007e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.358483188088277,1.2802589879929391,0.6378013000648584,0.14848572921142766 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125050e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.358483188088277,1.2802589879929391,0.6378013000648584,0.14848572921142766 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 0.005873002784616046 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3568,1.2801827,0.36218716,0.85149145 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.45006e-14 -3.68630e-14 -2.53246e-08] (Cartesian), [-5.32908004e-15 -1.50990314e-14 -4.54049205e-09] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.35680020579392,1.2801829236723439,0.6378128374931076,0.14850854772975675 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125051e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125051e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.35680020579392,1.2801829236723439,0.6378128374931076,0.14850854772975675 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 0.0058731902423457705 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3549,1.2800983,0.36217519,0.85146665 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.35489e+00 -1.36601e-06 -5.57469e+00] (Cartesian), [-0.99999209 -0.99999245 -0.99999282] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.35492366004608,1.2800982225757456,0.6378319953336375,0.14854053353371421 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125051e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125051e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.35492366004608,1.2800982225757456,0.6378319953336375,0.14854053353371421 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 0.005873398511298552 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3528,1.2800037,0.36216162,0.85143877 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.35279e+00 -1.63041e-06 -5.57159e+00] (Cartesian), [-0.999991 -0.99999143 -0.99999045] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.352828239548688,1.2800052932690342,0.637847921245912,0.14857077661270957 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125050e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.352828239548688,1.2800052932690342,0.637847921245912,0.14857077661270957 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 0.00587363157861007 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3505,1.2798989,0.36214654,0.85140733 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.41448e-06 2.72218e-07 -5.56820e+00] (Cartesian), [-3.61256600e-07 -2.89004994e-07 -9.99998503e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.350495285050338,1.2799021658511196,0.6378549608115027,0.14859416583457152 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125051e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125051e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.350495285050338,1.2799021658511196,0.6378549608115027,0.14859416583457152 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 0.005873891457788327 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3479,1.2797902,0.36212963,0.85137195 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.21519e-07 1.19611e-07 -3.78559e-06] (Cartesian), [-1.58829957e-07 -1.27064059e-07 -6.80324460e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.347897928268371,1.2797883426330932,0.6378696924199136,0.1486273655556949 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125050e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.347897928268371,1.2797883426330932,0.6378696924199136,0.1486273655556949 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 0.005874181093176963 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.345,1.2796548,0.3621107,0.85133212 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.34500e+00 -5.15612e-07 -5.56008e+00] (Cartesian), [-0.99999788 -0.99999801 -0.99998794] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.34500893066105,1.2796629722224617,0.6379013553115755,0.1486799426032257 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.59957437e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.34500893066105,1.2796629722224617,0.6379013553115755,0.1486799426032257 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 0.005874503632042568 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3418,1.2795154,0.36208953,0.85128726 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.44150e-07 6.62318e-08 -5.55539e+00] (Cartesian), [-8.80715483e-08 -7.04572144e-08 -9.99990877e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.341798852831788,1.2795251163439856,0.6379195958103709,0.14872185837435747 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125052e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125052e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.341798852831788,1.2795251163439856,0.6379195958103709,0.14872185837435747 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 0.005874862535312214 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3382,1.2793785,0.36206585,0.85123677 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33819e+00 -2.07099e-06 -5.55019e+00] (Cartesian), [-0.99998915 -0.9999897 -0.9999936 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.338235870532222,1.2793738502416148,0.6379405559152675,0.1487696328322614 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.37408628e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.338235870532222,1.2793738502416148,0.6379405559152675,0.1487696328322614 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 0.00587526148503644 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3343,1.2792146,0.36203937,0.85117994 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.21455e-06 8.11090e-07 -1.59148e-05] (Cartesian), [-1.08041626e-06 -8.64333136e-07 -2.87039973e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.3342859515037535,1.2792082298107017,0.6379577583251601,0.14881718823480306 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125052e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125052e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3342859515037535,1.2792082298107017,0.6379577583251601,0.14881718823480306 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 0.005875704547686113 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3299,1.2790365,0.36200979,0.85111602 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.32990e+00 -7.44079e-07 -8.25653e-06] (Cartesian), [-9.99996924e-01 -9.99997123e-01 -1.49086601e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.329912887833981,1.279027233452698,0.637988717711778,0.14888248830828732 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125052e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125052e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.329912887833981,1.279027233452698,0.637988717711778,0.14888248830828732 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 0.005876196016541901 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3251,1.2788144,0.36197678,0.8510441 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59642e-06 1.26948e-06 -5.53099e+00] (Cartesian), [-1.69461790e-06 -1.35569471e-06 -9.99990938e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.325078011944831,1.2788301400061466,0.6380322834040868,0.14896495845684 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 7.62572174e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.325078011944831,1.2788301400061466,0.6380322834040868,0.14896495845684 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 0.005876739842587364 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3197,1.2786305,0.36193997,0.85096343 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.31969e+00 -2.36522e-06 -3.47477e-06] (Cartesian), [-9.99987885e-01 -9.99988518e-01 -6.29112348e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.319740966745878,1.2786160406669118,0.6380594003831859,0.14903594480370064 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 1.02250332e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.319740966745878,1.2786160406669118,0.6380594003831859,0.14903594480370064 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 0.005877342994766941 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3139,1.2783792,0.36189889,0.85087259 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.21506e-05 2.33839e-06 -1.15312e-05] (Cartesian), [-3.12960357e-06 -2.50368143e-06 -2.09096778e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.313859497970823,1.27838353255169,0.6380990190188323,0.1491253208797445 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.12011427e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.313859497970823,1.27838353255169,0.6380990190188323,0.1491253208797445 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 0.005878008619174866 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3074,1.278126,0.36185319,0.85077084 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.16544e-06 6.09188e-07 -5.50539e+00] (Cartesian), [-8.16539785e-07 -6.53232121e-07 -9.99995620e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.307389448549441,1.2781324234564446,0.6381511938251774,0.14923354161051572 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 -4.2231689e-17 0.0000000e+00] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.307389448549441,1.2781324234564446,0.6381511938251774,0.14923354161051572 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 0.005878742832598058 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3003,1.2778643,0.36180237,0.85065687 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.32478e-06 8.32305e-07 -1.01777e-05] (Cartesian), [-1.11744009e-06 -8.93951904e-07 -1.85211720e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.300285584051897,1.2778617868485749,0.6381957780602334,0.14934128090810317 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 5.19250248e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.300285584051897,1.2778617868485749,0.6381957780602334,0.14934128090810317 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 0.005879551279066381 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2925,1.2775772,0.36174593,0.85052946 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.29250e+00 -1.15159e-07 -8.64193e-06] (Cartesian), [-9.99999520e-01 -9.99999551e-01 -1.57585138e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.29250199460764,1.2775708128720025,0.6382524925665138,0.14946896860504832 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125052e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125052e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.29250199460764,1.2775708128720025,0.6382524925665138,0.14946896860504832 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 0.005880439851014938 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.284,1.2772642,0.36168345,0.85038713 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.60030e-06 5.00427e-07 -1.10444e-05] (Cartesian), [-6.74422855e-07 -5.39538519e-07 -2.01843346e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.283991332343457,1.2772594004451776,0.6383145271227546,0.14961085289736875 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 7.0703437e-17 0.0000000e+00] [0.0000000e+00 1.0000000e+00 0.0000000e+00] [0.0000000e+00 0.0000000e+00 1.0000000e+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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.283991332343457,1.2772594004451776,0.6383145271227546,0.14961085289736875 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 0.005881414234159569 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2747,1.2769317,0.36161434,0.85022862 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.27470e+00 -4.27146e-07 -3.93381e-06] (Cartesian), [-9.99998212e-01 -9.99998327e-01 -7.20677486e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.274707398384587,1.276926889852587,0.6383849361074696,0.1497706550909217 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125050e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.274707398384587,1.276926889852587,0.6383849361074696,0.1497706550909217 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 0.005882480291082619 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2646,1.2765793,0.36153812,0.8500525 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.26460e+00 -2.29996e-07 -7.39888e-06] (Cartesian), [-9.99999035e-01 -9.99999097e-01 -1.35906922e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.264603983644059,1.2765731327309044,0.6384605165778496,0.1499461432671283 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125049e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125049e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.264603983644059,1.2765731327309044,0.6384605165778496,0.1499461432671283 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 0.005883643630459573 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2536,1.2762131,0.36145431,0.84985734 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.25359e+00 -2.08616e-06 -6.10953e-06] (Cartesian), [-9.99988871e-01 -9.99989438e-01 -1.12545818e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.253636133294447,1.2761981266843352,0.6385445617186281,0.15014153868787417 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.42833176e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.253636133294447,1.2761981266843352,0.6385445617186281,0.15014153868787417 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 0.0058849095033894835 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2418,1.2757792,0.36136247,0.84964177 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18139e-05 2.27359e-06 -5.41158e+00] (Cartesian), [-3.09460127e-06 -2.47568006e-06 -9.99987621e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.241760620350177,1.2758020722066543,0.638649908872742,0.1503706096254429 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125048e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125048e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.241760620350177,1.2758020722066543,0.638649908872742,0.1503706096254429 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 0.005886282601185064 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2289,1.2753908,0.36126222,0.84940449 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.22889e+00 -2.10703e-06 -5.39349e+00] (Cartesian), [-0.99998872 -0.99998929 -0.99999365] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.228936494778472,1.2753854951974082,0.6387441345270557,0.1506018628731014 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125048e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125048e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.228936494778472,1.2753854951974082,0.6387441345270557,0.1506018628731014 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 0.005887766826604321 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2151,1.2749638,0.36115327,0.84914431 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.21509e+00 -1.48000e-06 -9.95416e-06] (Cartesian), [-9.99991343e-01 -9.99991749e-01 -1.85225675e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.215125634312017,1.2749492807005944,0.6388448729731313,0.15085384253375045 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 6.45649507e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.215125634312017,1.2749492807005944,0.6388448729731313,0.15085384253375045 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 0.00588936507824992 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2003,1.2745042,0.36103547,0.84886018 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.00125e-06 3.85140e-07 -1.69190e-05] (Cartesian), [-5.29394142e-07 -4.23515497e-07 -3.16050898e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.2002933291738795,1.2744947224140284,0.6389613676727253,0.15113666367350764 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125047e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125047e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.2002933291738795,1.2744947224140284,0.6389613676727253,0.15113666367350764 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 0.005891079009489253 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1844,1.2740178,0.36090878,0.84855125 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.18440e+00 -4.97445e-07 -5.33099e+00] (Cartesian), [-0.99999787 -0.99999801 -0.99999147] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.184408616000651,1.2740236299474146,0.6390997413873167,0.15145727376075335 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 5.67846548e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.184408616000651,1.2740236299474146,0.6390997413873167,0.15145727376075335 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 0.005892908843450094 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1674,1.2735519,0.36077335,0.8482169 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.16739e+00 -2.57562e-06 -5.30740e+00] (Cartesian), [-0.99998654 -0.99998725 -0.99999984] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.167444611107929,1.273538421888556,0.6392268101703253,0.1517832599039104 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -4.03301595e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.167444611107929,1.273538421888556,0.6392268101703253,0.1517832599039104 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 0.0058948531729339 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1494,1.2730274,0.36062947,0.8478567 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.35463e-06 1.22295e-06 -5.28229e+00] (Cartesian), [-1.70162832e-06 -1.36130243e-06 -9.99991575e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.149378817912115,1.273042239453933,0.6393789573665627,0.1521517221541111 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125045e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.149378817912115,1.273042239453933,0.6393789573665627,0.1521517221541111 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 0.005896909033458595 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1302,1.2725292,0.36047762,0.84747053 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.93261e-06 3.71930e-07 -5.25579e+00] (Cartesian), [-5.19913620e-07 -4.15931140e-07 -9.99992131e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.130193557976605,1.2725387521788905,0.6395302524799877,0.15253733976215966 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125045e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.130193557976605,1.2725387521788905,0.6395302524799877,0.15253733976215966 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 0.00589907174130727 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1099,1.2720261,0.36031843,0.84705842 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.34245e-06 1.41306e-06 -1.57254e-06] (Cartesian), [-1.98504323e-06 -1.58803336e-06 -3.00797893e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.1098755251576895,1.2720326028630458,0.6396812729321191,0.15294127755306386 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.41368735e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.1098755251576895,1.2720326028630458,0.6396812729321191,0.15294127755306386 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 0.005901335166554106 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0884,1.2715243,0.36015266,0.84662064 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.08840e+00 -9.41953e-07 -5.19849e+00] (Cartesian), [-0.99999588 -0.99999614 -0.99999037] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.08841631510676,1.271529042880324,0.6398569710336948,0.1533889908228807 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125046e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125046e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.08841631510676,1.271529042880324,0.6398569710336948,0.1533889908228807 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 0.005903691762803368 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0658,1.2710414,0.3599812,0.84615761 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.06580e+00 -6.98756e-07 -4.99402e-06] (Cartesian), [-9.99996924e-01 -9.99997122e-01 -9.66375156e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.065812102817116,1.2710341419060465,0.6400178338844442,0.15384142407566914 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125045e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.065812102817116,1.2710341419060465,0.6400178338844442,0.15384142407566914 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 0.005906133208961068 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0421,1.2705524,0.35980496,0.84566982 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.08974e-05 2.09720e-06 -1.34610e-05] (Cartesian), [-2.99555375e-06 -2.39644444e-06 -2.62108374e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.042063675398622,1.2705544353468197,0.640192419752571,0.1543275566828235 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 2.35384201e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.042063675398622,1.2705544353468197,0.640192419752571,0.1543275566828235 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 0.005908650349818256 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.0172,1.2700886,0.35962489,0.84515789 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.10707e-06 1.36776e-06 -5.10220e+00] (Cartesian), [-1.96574559e-06 -1.57259550e-06 -9.99999358e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.017176309781712,1.2700969244843359,0.6403757487577466,0.1548427550318161 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125045e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.017176309781712,1.2700969244843359,0.6403757487577466,0.1548427550318161 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 0.005911233584788259 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9912,1.2696683,0.35944194,0.84462236 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22654e-05 2.36048e-06 -1.70677e-05] (Cartesian), [-3.41460297e-06 -2.73168168e-06 -3.36810286e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.9911591152572785,1.2696692832214793,0.6405546890079998,0.15537427045998076 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 5.98725954e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9911591152572785,1.2696692832214793,0.6405546890079998,0.15537427045998076 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 0.005913873485667243 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.964,1.2692987,0.359257,0.84406384 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.96399e+00 -1.48007e-06 -1.62203e-05] (Cartesian), [-9.99990795e-01 -9.99991226e-01 -3.22377958e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.964025635533054,1.2692789801051416,0.6407397745440413,0.15593293834648358 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125048e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125048e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.964025635533054,1.2692789801051416,0.6407397745440413,0.15593293834648358 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 0.005916560675374145 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9358,1.2689415,0.35907089,0.84348284 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.16568e-06 4.16785e-07 -1.40134e-05] (Cartesian), [-6.11391673e-07 -4.89113420e-07 -2.80590088e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.9357927810668256,1.268933807854161,0.6409263031483725,0.15651435869435293 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -8.70198076e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9357927810668256,1.268933807854161,0.6409263031483725,0.15651435869435293 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 0.005919286249471201 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9065,1.2686292,0.35888436,0.84287979 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.75503e-06 1.10756e-06 -4.95589e+00] (Cartesian), [-1.63689017e-06 -1.30951109e-06 -9.99993186e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.9064808165612446,1.2686415224730898,0.6411224551605734,0.15712701991348288 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -7.53718961e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.9064808165612446,1.2686415224730898,0.6411224551605734,0.15712701991348288 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 0.005922041802723121 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.8761,1.2684141,0.35869805,0.8422551 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.87610e+00 -7.52630e-07 -1.58551e-07] (Cartesian), [-9.99996525e-01 -9.99996749e-01 -3.22487574e-08] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.876113035933205,1.2684097345350653,0.6413019131912181,0.15774486567305201 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.16814059e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.876113035933205,1.2684097345350653,0.6413019131912181,0.15774486567305201 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 0.005924819605284129 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.8447,1.2682394,0.35851254,0.84160906 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.84470e+00 -8.84408e-07 -4.87598e+00] (Cartesian), [-0.99999588 -0.99999615 -0.99998679] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.8447153183983076,1.2682458936248946,0.6415006737546114,0.15840415258147944 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125047e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125047e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.8447153183983076,1.2682458936248946,0.6415006737546114,0.15840415258147944 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 0.005927612577988775 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.8123,1.2681583,0.35832828,0.84094191 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.81230e+00 -9.17502e-07 -4.83459e+00] (Cartesian), [-0.99999569 -0.99999597 -0.99999466] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.8123158915984163,1.2681571934743734,0.6416770620808645,0.15906343356542552 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 1.5647361e-16 0.0000000e+00] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.8123158915984163,1.2681571934743734,0.6416770620808645,0.15906343356542552 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 0.005925815786200754 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.7789,1.2681733,0.35814569,0.84025385 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.77889e+00 -2.59266e-06 -1.04020e-05] (Cartesian), [-9.99985074e-01 -9.99985867e-01 -2.17057838e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.778944906225728,1.2681505533860162,0.641852140586674,0.15974398296848502 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125046e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125046e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.778944906225728,1.2681505533860162,0.641852140586674,0.15974398296848502 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 0.005919578998337325 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.7446,1.268253,0.35796506,0.83954502 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.74459e+00 -1.97033e-06 -1.19194e-05] (Cartesian), [-9.99987912e-01 -9.99988520e-01 -2.50984023e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.744634127167877,1.2682326409015166,0.6420324339316861,0.16045246589805817 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125046e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125046e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.744634127167877,1.2682326409015166,0.6420324339316861,0.16045246589805817 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 0.005913355975136018 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.7094,1.2684262,0.35778669,0.83881561 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.70939e+00 -9.62433e-07 -1.43554e-05] (Cartesian), [-9.99992660e-01 -9.99992960e-01 -3.05105545e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.7094166698311426,1.2684097697254744,0.6422102550279232,0.16118134112796545 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125045e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.7094166698311426,1.2684097697254744,0.6422102550279232,0.16118134112796545 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 0.00590716905157431 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.6733,1.2686957,0.35761069,0.83806586 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.67329e+00 -1.52564e-06 -4.66030e+00] (Cartesian), [-0.99998984 -0.99999032 -0.99999825] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.673326424890646,1.268688822034613,0.642391062918767,0.1619358963301849 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -8.81224392e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.673326424890646,1.268688822034613,0.642391062918767,0.1619358963301849 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 0.005901100436362281 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.6364,1.2690848,0.35743547,0.83729727 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.21117e-14 -1.39853e-15 -4.61490e+00] (Cartesian), [-3.10863840e-15 -3.55272666e-15 -9.99999702e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.636401813655306,1.269084554864958,0.6425648274556164,0.16270302847132578 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125044e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125044e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.636401813655306,1.269084554864958,0.6425648274556164,0.16270302847132578 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 0.005895235780486688 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.5987,1.2695974,0.35725895,0.83651176 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11741e-07 2.15046e-08 -4.56888e+00] (Cartesian), [-3.45004306e-08 -2.76003345e-08 -9.99986330e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.5986996275306034,1.269609283584575,0.6427547193265923,0.1635019139856586 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125043e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125043e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.5986996275306034,1.269609283584575,0.6427547193265923,0.1635019139856586 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 0.005889627173790877 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.5603,1.2702581,0.35707993,0.83571141 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.91283e-06 9.45475e-07 -4.52250e+00] (Cartesian), [-1.53322061e-06 -1.22657637e-06 -9.99997328e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.5602836238895317,1.2702673618422406,0.6429227383227842,0.16429126313315123 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 8.22569391e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.5602836238895317,1.2702673618422406,0.6429227383227842,0.16429126313315123 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 0.0058842619342617496 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.5213,1.2710079,0.35689924,0.83490183 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.31477e-05 2.53028e-06 -4.47558e+00] (Cartesian), [-4.14867795e-06 -3.31894119e-06 -9.99985656e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.521256174225007,1.2710362378649696,0.6431151064234184,0.165112513683364 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125043e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125043e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.521256174225007,1.2710362378649696,0.6431151064234184,0.165112513683364 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 0.00587909579089 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.4817,1.2718787,0.35671855,0.83408877 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.48169e+00 -1.12298e-06 -4.42828e+00] (Cartesian), [-0.99999136 -0.99999173 -0.99998427] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.481719450507991,1.2718858357803775,0.6432971815508504,0.1659269575222595 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125041e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125041e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.481719450507991,1.2718858357803775,0.6432971815508504,0.1659269575222595 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 0.005874077757989307 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.4418,1.2727643,0.35653975,0.83327593 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.48375e-05 2.85548e-06 -4.38059e+00] (Cartesian), [-4.79003691e-06 -3.83202899e-06 -9.99989719e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.441750541692452,1.2727927217077042,0.643470535363607,0.1667343545657074 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125041e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125041e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.441750541692452,1.2727927217077042,0.643470535363607,0.1667343545657074 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 0.005869153841097456 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.4014,1.2737402,0.35636492,0.83246492 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.40140e+00 -1.38568e-08 -4.33250e+00] (Cartesian), [-0.99999993 -0.99999993 -0.99999899] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.401400240008032,1.2737414244915668,0.6436360960012242,0.16753608834928446 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125041e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125041e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.401400240008032,1.2737414244915668,0.6436360960012242,0.16753608834928446 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 0.005864269093155667 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.3607,1.2747344,0.35619641,0.83165532 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.07785e-06 3.99882e-07 -1.43085e-05] (Cartesian), [-6.86977933e-07 -5.49582476e-07 -3.34001637e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.3606930738438945,1.2747254662141498,0.6438002531388984,0.16834134030315906 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125041e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125041e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.3606930738438945,1.2747254662141498,0.6438002531388984,0.16834134030315906 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 0.005859369787637426 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.3196,1.2757561,0.35603739,0.8308435 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.31959e+00 -1.36696e-06 -4.23499e+00] (Cartesian), [-0.99998962 -0.99999009 -0.9999915 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.3196236764114215,1.275754850388276,0.6439711158718473,0.16916500567175063 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -3.02207368e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.3196236764114215,1.275754850388276,0.6439711158718473,0.16916500567175063 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 0.005854403594408406 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.2782,1.2768287,0.35589222,0.83002229 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.30404e-05 2.50963e-06 -4.18568e+00] (Cartesian), [-4.41996452e-06 -3.53597039e-06 -9.99984536e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.278156531994,1.2768593219083788,0.6441232455612473,0.16999317343920373 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 5.25195892e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.278156531994,1.2768593219083788,0.6441232455612473,0.16999317343920373 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 0.005849319363808805 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.2362,1.2781039,0.35576548,0.82918332 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.23619e+00 -2.09036e-06 -1.73309e-05] (Cartesian), [-9.99985349e-01 -9.99986095e-01 -4.19010121e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.2362362060570393,1.27807515090475,0.6442303282287369,0.17081249109279528 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.2362362060570393,1.27807515090475,0.6442303282287369,0.17081249109279528 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 0.005844066991291377 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.1938,1.2794477,0.35566186,0.82831728 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.19417e-06 6.14719e-07 -9.93248e-06] (Cartesian), [-1.11124366e-06 -8.88994704e-07 -2.43069402e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.1937893527554757,1.2794435765222523,0.6443357070352183,0.1716802924491061 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.1937893527554757,1.2794435765222523,0.6443357070352183,0.1716802924491061 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 0.005838597741316127 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.1507,1.2810169,0.35558612,0.8274139 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.15069e+00 -1.45235e-06 -4.03609e+00] (Cartesian), [-0.99998858 -0.99998911 -0.99999409] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.1507251554152305,1.2810110890272284,0.644419792907919,0.17259201444927763 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.13863928e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.1507251554152305,1.2810110890272284,0.644419792907919,0.17259201444927763 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 0.005832865126534416 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.1069,1.2828543,0.35554306,0.82646185 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.10689e+00 -2.02392e-06 -1.11087e-05] (Cartesian), [-9.99985122e-01 -9.99985875e-01 -2.78715982e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.106935055369772,1.2828302432848038,0.6444541530134344,0.17353536436643924 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.106935055369772,1.2828302432848038,0.6444541530134344,0.17353536436643924 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 0.005826826810369582 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.0623,1.2849492,0.35553748,0.82544853 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.49206e-06 4.79598e-07 -3.93489e+00] (Cartesian), [-9.04210412e-07 -7.23368048e-07 -9.99990901e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.0622916931245876,1.2849611337215352,0.6444716163638851,0.17456056461021063 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125039e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.0622916931245876,1.2849611337215352,0.6444716163638851,0.17456056461021063 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 0.005820448598052306 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.0166,1.2875091,0.35557409,0.82435985 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.01659e+00 -2.71948e-06 -1.73374e-05] (Cartesian), [-9.99980550e-01 -9.99981591e-01 -4.46396813e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=3.01664710271497,1.2874737276394248,0.6444214495948493,0.17563568150345432 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=3.01664710271497,1.2874737276394248,0.6444214495948493,0.17563568150345432 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 0.005813712166925855 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.9698,1.2904573,0.35565728,0.8231799 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.96979e+00 -1.74619e-06 -3.83239e+00] (Cartesian), [-0.99998611 -0.99998679 -0.99999175] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=2.9698302449704155,1.2904514039456678,0.6443509709569921,0.1768283446247696 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.9698302449704155,1.2904514039456678,0.6443509709569921,0.1768283446247696 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 0.005806629535009436 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.9216,1.294017,0.35579083,0.82189063 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.92159e+00 -2.52736e-06 -1.22440e-06] (Cartesian), [-9.99981095e-01 -9.99982094e-01 -3.23864200e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=2.9216437750888695,1.2939965360056416,0.6442088452311094,0.17810904136392702 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 -1.5693773e-16 0.0000000e+00] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.9216437750888695,1.2939965360056416,0.6442088452311094,0.17810904136392702 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 0.005799268936488728 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.8719,1.2982346,0.35597729,0.82047145 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.18772e-05 2.28578e-06 -1.42637e-05] (Cartesian), [-4.59524274e-06 -3.67618992e-06 -3.82572782e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=2.8718604091957127,1.2982394448111343,0.6440188809737468,0.17952471928017855 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.8718604091957127,1.2982394448111343,0.6440188809737468,0.17952471928017855 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 0.00579180019698941 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.8202,1.3033473,0.356217,0.81889855 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.82019e+00 -1.07777e-06 -3.67568e+00] (Cartesian), [-0.99998961 -0.99999006 -0.99998275] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=2.8202186675822736,1.3033540450632792,0.6438002519202599,0.18111870476479197 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125039e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125039e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.8202186675822736,1.3033540450632792,0.6438002519202599,0.18111870476479197 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 0.005784571367335884 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.7664,1.3096082,0.35650657,0.81714349 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.76639e+00 -1.05096e-06 -1.45461e-05] (Cartesian), [-9.99989586e-01 -9.99990025e-01 -4.01508519e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=2.7664182031214932,1.3095858397762916,0.6434894198981405,0.18285249624677213 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125038e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125038e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=2.7664182031214932,1.3095858397762916,0.6434894198981405,0.18285249624677213 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 0.005871440191886371 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3726,1.2809084,0.63771381,0.14830953 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.89459e-06 3.64614e-07 -5.60089e+00] (Cartesian), [-4.81430506e-07 -3.85144409e-07 -9.99993108e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.37259368469552,1.2809167755146225,0.6377206982592956,0.1483164246169375 --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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.37259368469552,1.2809167755146225,0.6377206982592956,0.1483164246169375 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 0.005870722013829368 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3799,1.281285,0.63766906,0.14822324 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.37990e+00 -4.79807e-07 -1.49974e-05] (Cartesian), [-9.99998039e-01 -9.99998166e-01 -2.67244865e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.379908310498019,1.281272739348418,0.637666391672002,0.14822056705986375 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125055e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125056e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.379908310498019,1.281272739348418,0.637666391672002,0.14822056705986375 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 0.005869989337009245 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3874,1.2816474,0.36237591,0.8518609 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.38740e+00 -4.94774e-07 -5.62309e+00] (Cartesian), [-0.99999798 -0.99999811 -0.99999434] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.387408569734426,1.2816499169610032,0.6376297477428778,0.1481447561722895 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125055e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125055e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.387408569734426,1.2816499169610032,0.6376297477428778,0.1481447561722895 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 0.0058692410645599545 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3951,1.2820414,0.36242124,0.85194252 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.39510e+00 -2.74481e-07 -5.63468e+00] (Cartesian), [-0.99999888 -0.99999895 -0.9999881 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.3951047541589325,1.2820506891594903,0.6375906687794806,0.14806938310846585 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125053e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125053e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.3951047541589325,1.2820506891594903,0.6375906687794806,0.14806938310846585 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 0.005868476162279408 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.403,1.2824892,0.36246694,0.85202105 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.40300e+00 -4.68397e-07 -1.33936e-05] (Cartesian), [-9.99998096e-01 -9.99998219e-01 -2.37190829e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.403008112871805,1.2824780627927856,0.6375306884489438,0.14797658249075907 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125052e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125053e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.403008112871805,1.2824780627927856,0.6375306884489438,0.14797658249075907 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 0.005867693366244468 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4111,1.2829453,0.36251308,0.8520958 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.41109e+00 -1.77925e-06 -1.00159e-06] (Cartesian), [-9.99990514e-01 -9.99990980e-01 -1.76984471e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.411130817478668,1.282935669792079,0.6374867452204014,0.1479040249844279 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 2.26486928e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.411130817478668,1.282935669792079,0.6374867452204014,0.1479040249844279 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 0.00586689134684386 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4195,1.2834257,0.36255972,0.85216594 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.14815e-06 7.98312e-07 -3.01810e-06] (Cartesian), [-1.04289401e-06 -8.34315169e-07 -5.32096511e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.419486172838462,1.283427778162096,0.6374397492637027,0.14783352437402097 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125050e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.419486172838462,1.283427778162096,0.6374397492637027,0.14783352437402097 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 0.005866068547097637 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4281,1.2839593,0.36260696,0.85223047 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.39026e-06 6.52456e-07 -4.62352e-06] (Cartesian), [-8.50695617e-07 -6.80556456e-07 -8.13214457e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.4280886991288515,1.283959539082953,0.6373922307185009,0.14776872156907794 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125050e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125050e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4280886991288515,1.283959539082953,0.6373922307185009,0.14776872156907794 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 0.005865223115212296 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.437,1.2845166,0.36265494,0.85228805 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.38476e-05 2.66497e-06 -5.69939e+00] (Cartesian), [-3.46774424e-06 -2.77419583e-06 -9.99992379e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.4369538413586875,1.28453746426028,0.6373526809691095,0.14771956941844566 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.62264887e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4369538413586875,1.28453746426028,0.6373526809691095,0.14771956941844566 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 0.0058643529942852745 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4461,1.2851713,0.36270386,0.85233709 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07382e-07 7.84006e-08 -3.52373e-06] (Cartesian), [-1.01807594e-07 -8.14460995e-08 -6.16684675e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.446098642061335,1.2851693939077757,0.6372955277769152,0.14766229588193558 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125048e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125048e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.446098642061335,1.2851693939077757,0.6372955277769152,0.14766229588193558 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 0.005863455789653736 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4555,1.2858714,0.36275398,0.85237548 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.45549e+00 -2.39101e-06 -5.72919e+00] (Cartesian), [-0.99998815 -0.99998877 -0.99999372] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.455541413583739,1.2858652789464435,0.637252307144287,0.1476308088325169 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125048e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125048e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.455541413583739,1.2858652789464435,0.637252307144287,0.1476308088325169 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 0.005862528162157851 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4653,1.2866325,0.36280575,0.85240056 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.46530e+00 -9.03890e-08 -5.74519e+00] (Cartesian), [-0.99999964 -0.99999966 -0.99999358] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.465301565585425,1.2866380507215889,0.6372006681736635,0.14760586092665795 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125046e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125046e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.465301565585425,1.2866380507215889,0.6372006681736635,0.14760586092665795 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 0.005861568463798506 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4754,1.287505,0.36285954,0.85240843 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00191e-07 1.92817e-08 -2.09980e-06] (Cartesian), [-2.48744923e-08 -1.98996094e-08 -3.64416133e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.47539966603073,1.2875037745428413,0.6371400999351513,0.14759120176504137 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125045e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.47539966603073,1.2875037745428413,0.6371400999351513,0.14759120176504137 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 0.005860571069380134 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4859,1.2884817,0.36291636,0.85239456 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.26777e-05 2.43983e-06 -1.42637e-05] (Cartesian), [-3.14016568e-06 -2.51213127e-06 -2.46778566e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.485857740933815,1.2884846927299929,0.6370811709452662,0.1476029719409142 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125045e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.485857740933815,1.2884846927299929,0.6370811709452662,0.1476029719409142 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 0.005859533108476565 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.4967,1.2896124,0.36297714,0.85235153 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.19026e-06 2.29066e-07 -3.53008e-06] (Cartesian), [-2.94107342e-07 -2.35285791e-07 -6.08740480e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.496696032456669,1.2896113134598004,0.6370222463125566,0.14764785671098113 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125045e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125045e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.496696032456669,1.2896113134598004,0.6370222463125566,0.14764785671098113 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 0.005858448259327438 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5079,1.2909337,0.36304401,0.85226964 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.50789e+00 -1.81402e-06 -5.81940e+00] (Cartesian), [-0.99999058 -0.99999104 -0.99999862] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.5079314197466065,1.2909264733848076,0.6369573704746512,0.14773173602771728 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -2.00798803e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5079314197466065,1.2909264733848076,0.6369573704746512,0.14773173602771728 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 0.005857311529230129 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5196,1.2924816,0.36311964,0.85213408 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.74372e-06 1.29783e-06 -5.84149e+00] (Cartesian), [-1.65790330e-06 -1.32632253e-06 -9.99995588e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.519577520920533,1.292491553277302,0.6368847732943577,0.14787032888552165 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125044e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125044e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.519577520920533,1.292491553277302,0.6368847732943577,0.14787032888552165 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 0.005856115169710586 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5316,1.2944214,0.36320919,0.85192056 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.53159e+00 -1.52642e-06 -9.44005e-06] (Cartesian), [-9.99991765e-01 -9.99992154e-01 -1.60934464e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.531626438286718,1.2944078433115793,0.6367891994986883,0.14807783336046199 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125043e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125043e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.531626438286718,1.2944078433115793,0.6367891994986883,0.14807783336046199 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 0.005854853763203246 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.544,1.296853,0.36332139,0.8515897 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.54399e+00 -2.17739e-06 -1.12853e-05] (Cartesian), [-9.99989223e-01 -9.99989776e-01 -1.91507775e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.544037713496042,1.2968351428092542,0.6366766988971055,0.1484083803099141 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.80551265e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.544037713496042,1.2968351428092542,0.6366766988971055,0.1484083803099141 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 0.005853522683662762 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5567,1.3000636,0.36347398,0.85106751 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.62111e-06 1.08178e-06 -5.92399e+00] (Cartesian), [-1.37066334e-06 -1.09653139e-06 -9.99994779e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.556681262959635,1.3000735812706137,0.6365312436505484,0.14893771502861464 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125043e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125043e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.556681262959635,1.3000735812706137,0.6365312436505484,0.14893771502861464 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 0.00585212858744518 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5692,1.3047579,0.36370786,0.85019684 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.56342e-07 8.78230e-08 -5.96170e+00] (Cartesian), [-1.10970586e-07 -8.87764822e-08 -9.99998839e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.569198478861396,1.3047598938899188,0.6362933023134527,0.14980432018503675 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125042e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125042e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.569198478861396,1.3047598938899188,0.6362933023134527,0.14980432018503675 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 0.005850737424065421 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5805,1.3126515,0.36414637,0.84854763 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.93296e-06 1.91160e-06 -1.11845e-05] (Cartesian), [-2.40949734e-06 -1.92759765e-06 -1.86018676e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.580466890118166,1.3126540341736583,0.6358517690187173,0.15145051070158666 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 -3.41462368e-16 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.580466890118166,1.3126540341736583,0.6358517690187173,0.15145051070158666 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 0.005850102039023287 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.584,1.3342059,0.36560612,0.84365389 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.24205e-05 2.39032e-06 -6.11600e+00] (Cartesian), [-3.01061879e-06 -2.40849647e-06 -9.99999280e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.583958598424427,1.3342189440098604,0.6343945987873973,0.1563468290715746 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 -1.41014971e-17 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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.583958598424427,1.3342189440098604,0.6343945987873973,0.1563468290715746 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 0.00585363878427419 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.5917,1.3631988,0.36813171,0.83693233 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.40217e-06 1.61700e-06 -1.25426e-06] (Cartesian), [-2.03319083e-06 -1.62655229e-06 -2.00380343e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.591671992779675,1.3632063473245684,0.631868091852287,0.1630674716482723 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-2.33125041e-07 9.99999767e-01 0.00000000e+00] [ 9.99999534e-01 2.33125041e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.591671992779675,1.3632063473245684,0.631868091852287,0.1630674716482723 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 0.005857607323655816 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.6183,1.3723448,0.36934448,0.83440098 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.82261e-06 1.69791e-06 -6.33789e+00] (Cartesian), [-2.12263413e-06 -1.69810778e-06 -9.99994945e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.6182705913024975,1.3723583125550294,0.6306605746812446,0.16560407234190544 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 6.59551876e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.6182705913024975,1.3723583125550294,0.6306605746812446,0.16560407234190544 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 0.0058686846907929375 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.6618,1.3878116,0.37210005,0.82948435 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.66179e+00 -1.65739e-06 -6.46969e+00] (Cartesian), [-0.99999149 -0.9999919 -0.99999542] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.661828706884927,1.3878072373255852,0.6279045237687253,0.17052022372721343 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 2.33125043e-07 -9.99999767e-01 0.00000000e+00] [-9.99999534e-01 -2.33125043e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.661828706884927,1.3878072373255852,0.6279045237687253,0.17052022372721343 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 0.005828091905800526 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.7671,1.4057184,0.38221677,0.82490915 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.56646e-06 1.07127e-06 -6.70119e+00] (Cartesian), [-1.29743074e-06 -1.03794366e-06 -9.99994309e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --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=A3B2_hP5_164_ad_d --params=4.76708144512183,1.4057297347156965,0.6177889196040183,0.17509653810136028 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 4.71031842e-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 A3B2_hP5_164_ad_d that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --params=4.76708144512183,1.4057297347156965,0.6177889196040183,0.17509653810136028 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A3B2_hP5_164_ad_d --parameter_symbols_only