INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9556031288987703,0.26797489759078186 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 7.9735970410999e-05 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=AB4_cP5_215_a_e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9556031288987703,0.26797489759078186 --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:Automatically set max fractional residual for solving position equations to 0.00464635754446127 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9501,0.26825758 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.4183e-06 -8.4183e-06 -8.4183e-06] (Cartesian), [-2.13117259e-06 -2.13117259e-06 -2.13117259e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9500789542601127,0.2682554467320051 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9500789542601127,0.2682554467320051 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 0.004646943940888901 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9494,0.26829143 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94939 -3.94939 -3.94939] (Cartesian), [-0.99999386 -0.99999386 -0.99999386] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9494142561119423,0.26829757521671405 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9494142561119423,0.26829757521671405 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 0.004647596667108137 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9487,0.26832912 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.12646e-05 -1.12646e-05 -1.12646e-05] (Cartesian), [-2.85275669e-06 -2.85275669e-06 -2.85275669e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.948671838448637,0.2683262659272798 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.948671838448637,0.2683262659272798 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 0.004648325343495111 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9478,0.26837119 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94778 -3.94778 -3.94778] (Cartesian), [-0.99998428 -0.99998428 -0.99998428] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9478420581516334,0.26838690834704626 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9478420581516334,0.26838690834704626 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 0.004649137188275519 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9469,0.26841806 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94689 -3.94689 -3.94689] (Cartesian), [-0.99999356 -0.99999356 -0.99999356] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9469154185868156,0.2684245008294355 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9469154185868156,0.2684245008294355 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 0.004650040864702826 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9459,0.26847023 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.50455e-06 -7.50455e-06 -7.50455e-06] (Cartesian), [-1.9018692e-06 -1.9018692e-06 -1.9018692e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9458812386147937,0.2684683326286925 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9458812386147937,0.2684683326286925 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 0.004651047148905181 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9447,0.26852833 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94469 -3.94469 -3.94469] (Cartesian), [-0.99999055 -0.99999055 -0.99999055] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9447272941558587,0.2685377865218759 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9447272941558587,0.2685377865218759 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 0.004652163879730536 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9434,0.26859281 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94338 -3.94338 -3.94338] (Cartesian), [-0.99998452 -0.99998452 -0.99998452] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9434410624739704,0.2686082913938128 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9434410624739704,0.2686082913938128 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 0.004653402893314284 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.942,0.26866434 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.942 -3.942 -3.942] (Cartesian), [-0.99999767 -0.99999767 -0.99999767] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.942009183223448,0.26866667088969365 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.942009183223448,0.26866667088969365 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 0.004654776021823182 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9404,0.26874362 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.94039 -3.94039 -3.94039] (Cartesian), [-0.99999344 -0.99999344 -0.99999344] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9404158412105423,0.26875017691242853 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9404158412105423,0.26875017691242853 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 0.004656295581308888 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9386,0.26883135 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.93858 -3.93858 -3.93858] (Cartesian), [-0.99998362 -0.99998362 -0.99998362] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9386445102966627,0.2688477295361058 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9386445102966627,0.2688477295361058 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 0.004657974664720996 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9367,0.26892829 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.09728e-06 -9.09728e-06 -9.09728e-06] (Cartesian), [-2.31090318e-06 -2.31090318e-06 -2.31090318e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.93667725680853,0.2689259817523302 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.93667725680853,0.2689259817523302 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 0.0046598268250813354 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9345,0.26903523 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.05722e-06 -2.05722e-06 -2.05722e-06] (Cartesian), [-5.2286763e-07 -5.2286763e-07 -5.2286763e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9344948569568126,0.2690347043161454 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9344948569568126,0.2690347043161454 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 0.004661863910221667 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9321,0.26915284 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.71035e-06 -8.71035e-06 -8.71035e-06] (Cartesian), [-2.21520262e-06 -2.21520262e-06 -2.21520262e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9320782241316747,0.2691506231465641 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9320782241316747,0.2691506231465641 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 0.004664104844481947 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9294,0.26928222 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.9294 -3.9294 -3.9294] (Cartesian), [-0.99999944 -0.99999944 -0.99999944] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9294022008747143,0.2692827788532388 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9294022008747143,0.2692827788532388 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 0.004666562031612487 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9264,0.26942408 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.92638 -3.92638 -3.92638] (Cartesian), [-0.99998347 -0.99998347 -0.99998347] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.926444917045703,0.2694406178024289 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.926444917045703,0.2694406178024289 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 0.004669250029922034 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9232,0.26957928 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.34939e-06 -7.34939e-06 -7.34939e-06] (Cartesian), [-1.87332392e-06 -1.87332392e-06 -1.87332392e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9231816265171493,0.26957740284499154 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9231816265171493,0.26957740284499154 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 0.004672183076370521 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9196,0.26974862 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.45852e-06 -5.45852e-06 -5.45852e-06] (Cartesian), [-1.39262654e-06 -1.39262654e-06 -1.39262654e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9195863537054505,0.2697472230580289 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9195863537054505,0.2697472230580289 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 0.004675374829186218 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9156,0.26993289 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.91559 -3.91559 -3.91559] (Cartesian), [-0.99998929 -0.99998929 -0.99998929] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9156319341830246,0.26994360104851967 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9156319341830246,0.26994360104851967 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 0.004678838026817162 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9113,0.27013284 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.93528e-06 -3.93528e-06 -3.93528e-06] (Cartesian), [-1.00613348e-06 -1.00613348e-06 -1.00613348e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.911290161796288,0.27013183329427015 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.911290161796288,0.27013183329427015 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 0.004682584148435008 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9065,0.27034912 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.90649 -3.90649 -3.90649] (Cartesian), [-0.99998927 -0.99998927 -0.99998927] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9065319242698036,0.27035985369872795 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9065319242698036,0.27035985369872795 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 0.004686623057021621 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9013,0.27058231 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.90129 -3.90129 -3.90129] (Cartesian), [-0.99999041 -0.99999041 -0.99999041] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9013274227016415,0.27059190065581595 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9013274227016415,0.27059190065581595 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 0.004690962649217081 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8956,0.27083285 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.89558 -3.89558 -3.89558] (Cartesian), [-0.999983 -0.999983 -0.999983] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.895646233262455,0.27084985669624806 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.895646233262455,0.27084985669624806 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 0.004695608286906549 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8895,0.27110107 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.69522e-05 -1.69522e-05 -1.69522e-05] (Cartesian), [-4.35849973e-06 -4.35849973e-06 -4.35849973e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.889457619432885,0.2710967123457193 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.889457619432885,0.2710967123457193 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 0.0047005626199922235 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8827,0.27138711 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.88269 -3.88269 -3.88269] (Cartesian), [-0.99998952 -0.99998952 -0.99998952] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.8827306737328273,0.27139758494785093 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8827306737328273,0.27139758494785093 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 0.00470582543691739 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8754,0.27169096 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.87539 -3.87539 -3.87539] (Cartesian), [-0.99998849 -0.99998849 -0.99998849] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.87543462061798,0.271702471983174 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.87543462061798,0.271702471983174 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 0.004711393014566875 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8675,0.2720124 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.86748 -3.86748 -3.86748] (Cartesian), [-0.99998476 -0.99998476 -0.99998476] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.867538937874665,0.2720276416378713 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.867538937874665,0.2720276416378713 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 0.004717258106066885 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.859,0.27235102 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.85899 -3.85899 -3.85899] (Cartesian), [-0.99999388 -0.99999388 -0.99999388] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.8590136234678796,0.27235714537117484 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8590136234678796,0.27235714537117484 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 0.004723410126651727 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8498,0.27270621 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.84979 -3.84979 -3.84979] (Cartesian), [-0.99998974 -0.99998974 -0.99998974] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.8498294827960247,0.27271646653746084 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8498294827960247,0.27271646653746084 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 0.00472983558343427 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.84,0.27307718 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.69087e-05 -1.69087e-05 -1.69087e-05] (Cartesian), [-4.40335577e-06 -4.40335577e-06 -4.40335577e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.839957728156236,0.2730727813760794 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.839957728156236,0.2730727813760794 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 0.0047365142220610204 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.8294,0.27346278 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.09057e-05 -1.09057e-05 -1.09057e-05] (Cartesian), [-2.84790767e-06 -2.84790767e-06 -2.84790767e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.829372735859491,0.2734599282050687 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.829372735859491,0.2734599282050687 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 0.004743426413492221 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.818,0.27386185 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.81798 -3.81798 -3.81798] (Cartesian), [-0.99998239 -0.99998239 -0.99998239] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.818047227638924,0.27387945953053316 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.818047227638924,0.27387945953053316 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 0.004750548784913803 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.806,0.27427306 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.68911e-05 -1.68911e-05 -1.68911e-05] (Cartesian), [-4.43806816e-06 -4.43806816e-06 -4.43806816e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.805957772312245,0.27426862390868556 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.805957772312245,0.27426862390868556 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 0.0047578537444694135 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7931,0.27469481 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.21201e-06 -7.21201e-06 -7.21201e-06] (Cartesian), [-1.90135886e-06 -1.90135886e-06 -1.90135886e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7930819699762766,0.2746929126545712 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7930819699762766,0.2746929126545712 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 0.004765313021717601 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7794,0.27512548 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.61489e-14 -3.57936e-14 -3.57936e-14] (Cartesian), [-9.56472025e-15 -9.47071061e-15 -9.47071061e-15] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7793996115611184,0.2751254755861392 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7793996115611184,0.2751254755861392 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 0.0047728971321487675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7649,0.27556334 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.09563e-06 -3.09563e-06 -3.09563e-06] (Cartesian), [-8.22236012e-07 -8.22236012e-07 -8.22236012e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7648922609220477,0.27556252217003596 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7648922609220477,0.27556252217003596 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 0.004780572961214249 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7495,0.27600651 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.74948 -3.74948 -3.74948] (Cartesian), [-0.99998246 -0.99998246 -0.99998246] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7495457758414443,0.27602405095299654 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7495457758414443,0.27602405095299654 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 0.004788311182939279 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7333,0.27645328 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.73328 -3.73328 -3.73328] (Cartesian), [-0.99998233 -0.99998233 -0.99998233] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7333459594413063,0.2764709426911096 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7333459594413063,0.2764709426911096 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 0.004796079985301312 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7163,0.27690181 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.72565e-06 -6.72565e-06 -6.72565e-06] (Cartesian), [-1.80977866e-06 -1.80977866e-06 -1.80977866e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.7162831858733654,0.27689999727821024 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.7162831858733654,0.27689999727821024 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 0.004803849352967111 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6984,0.27735037 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.9701e-05 -1.9701e-05 -1.9701e-05] (Cartesian), [-5.32696906e-06 -5.32696906e-06 -5.32696906e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.6983507475382025,0.27734504473913835 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6983507475382025,0.27734504473913835 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 0.004811590358878412 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6795,0.2777973 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.67948 -3.67948 -3.67948] (Cartesian), [-0.99998243 -0.99998243 -0.99998243] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.679544650533448,0.27781486914668463 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.679544650533448,0.27781486914668463 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 0.004819276019846759 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6599,0.27824103 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.42262e-05 -1.42262e-05 -1.42262e-05] (Cartesian), [-3.88708387e-06 -3.88708387e-06 -3.88708387e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.6598644345188167,0.2782371436518962 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6598644345188167,0.2782371436518962 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 0.00482688136640016 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6393,0.27868013 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.63929 -3.63929 -3.63929] (Cartesian), [-0.99999372 -0.99999372 -0.99999372] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.6393128601342775,0.27868640706619896 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6393128601342775,0.27868640706619896 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 0.0048343841022168545 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6179,0.2791133 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.60349e-06 -1.60349e-06 -1.60349e-06] (Cartesian), [-4.43210641e-07 -4.43210641e-07 -4.43210641e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.6178959912844446,0.27911285306745404 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.6178959912844446,0.27911285306745404 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 0.0048406113757381896 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5992,0.27947283 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.03854e-05 -1.03854e-05 -1.03854e-05] (Cartesian), [-2.88549537e-06 -2.88549537e-06 -2.88549537e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.5991740364262106,0.2794699425871159 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5991740364262106,0.2794699425871159 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 0.004842242211110771 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5935,0.27956698 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.59349 -3.59349 -3.59349] (Cartesian), [-0.9999914 -0.9999914 -0.9999914] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.5935208915265657,0.27957558085770184 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5935208915265657,0.27957558085770184 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 0.004845049950606005 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5818,0.27972909 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.74576e-06 -2.74576e-06 -2.74576e-06] (Cartesian), [-7.66588102e-07 -7.66588102e-07 -7.66588102e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.581793135598909,0.27972832273385473 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.581793135598909,0.27972832273385473 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 0.004857448449790934 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5311,0.28044492 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.36779e-06 -8.36779e-06 -8.36779e-06] (Cartesian), [-2.36975435e-06 -2.36975435e-06 -2.36975435e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.531079080537143,0.2804425472518062 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.531079080537143,0.2804425472518062 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 0.004865047645731014 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.5023,0.28088366 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.92321e-06 -1.92321e-06 -1.92321e-06] (Cartesian), [-5.4912847e-07 -5.4912847e-07 -5.4912847e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.50229519198429,0.2808831076598457 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.50229519198429,0.2808831076598457 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 0.00487164149393332 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.476,0.28126435 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.5285e-05 -1.5285e-05 -1.5285e-05] (Cartesian), [-4.39734408e-06 -4.39734408e-06 -4.39734408e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.4759617876010984,0.2812599554476929 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.4759617876010984,0.2812599554476929 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 0.0048780382288026005 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.4489,0.28163367 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.64234e-06 -3.64234e-06 -3.64234e-06] (Cartesian), [-1.05609024e-06 -1.05609024e-06 -1.05609024e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.4488908941591565,0.28163261236141035 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.4488908941591565,0.28163261236141035 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 0.004884234781453176 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.4211,0.28199143 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.4211 -3.4211 -3.4211] (Cartesian), [-0.99999784 -0.99999784 -0.99999784] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.4211074028085062,0.2819935904489601 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.4211074028085062,0.2819935904489601 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 0.004890229454099288 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3926,0.28233753 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.39258 -3.39258 -3.39258] (Cartesian), [-0.99998264 -0.99998264 -0.99998264] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.3926388938195315,0.282354888467369 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3926388938195315,0.282354888467369 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 0.00489602158688335 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3635,0.28267194 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.36349 -3.36349 -3.36349] (Cartesian), [-0.99999288 -0.99999288 -0.99999288] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.3635139324393353,0.28267905342305055 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3635139324393353,0.28267905342305055 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 0.004901611887453179 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3338,0.28299469 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.52309e-05 -1.52309e-05 -1.52309e-05] (Cartesian), [-4.56868257e-06 -4.56868257e-06 -4.56868257e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.3337619228693054,0.28299012558584336 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3337619228693054,0.28299012558584336 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 0.0049070017100461254 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.3034,0.28330588 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.30339 -3.30339 -3.30339] (Cartesian), [-0.99999311 -0.99999311 -0.99999311] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.303412772773431,0.2833127695320483 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.303412772773431,0.2833127695320483 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 0.004912192982633415 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.2725,0.28360559 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.3504e-06 -1.3504e-06 -1.3504e-06] (Cartesian), [-4.12651304e-07 -4.12651304e-07 -4.12651304e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.2724966239998645,0.28360518143217517 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.2724966239998645,0.28360518143217517 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 0.004917188019723048 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.241,0.28389398 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.24098 -3.24098 -3.24098] (Cartesian), [-0.99998032 -0.99998032 -0.99998032] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.2410437915273143,0.283913665086468 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.2410437915273143,0.283913665086468 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 0.004921989203909749 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.2091,0.28417118 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.23466e-06 -6.23466e-06 -6.23466e-06] (Cartesian), [-1.94281583e-06 -1.94281583e-06 -1.94281583e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.209084413350899,0.2841692363667423 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.209084413350899,0.2841692363667423 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 0.0049265989294243985 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.1766,0.28443732 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.17658 -3.17658 -3.17658] (Cartesian), [-0.99997846 -0.99997846 -0.99997846] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.176648414868972,0.28445885861787246 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.176648414868972,0.28445885861787246 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 0.00493101924811564 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.1438,0.28469253 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.38825e-05 -1.38825e-05 -1.38825e-05] (Cartesian), [-4.41588309e-06 -4.41588309e-06 -4.41588309e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.143765293761133,0.2846881131447887 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.143765293761133,0.2846881131447887 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 0.004935251899447715 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.1105,0.2849369 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.43601e-05 -1.43601e-05 -1.43601e-05] (Cartesian), [-4.61670656e-06 -4.61670656e-06 -4.61670656e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.11046409966477,0.2849322845599196 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.11046409966477,0.2849322845599196 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 0.004939298192128869 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.0768,0.28517051 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.07179e-05 -1.07179e-05 -1.07179e-05] (Cartesian), [-3.48348717e-06 -3.48348717e-06 -3.48348717e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.0767732051335552,0.2851670305961689 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.0767732051335552,0.2851670305961689 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 0.0049431584188949634 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.0427,0.28539338 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.04269 -3.04269 -3.04269] (Cartesian), [-0.99998997 -0.99998997 -0.99998997] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.042720526721556,0.2854034170859494 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.042720526721556,0.2854034170859494 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 0.004946832402135926 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.0083,0.2856055 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.00829 -3.00829 -3.00829] (Cartesian), [-0.9999857 -0.9999857 -0.9999857] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.00833301707939,0.28561980120858577 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.00833301707939,0.28561980120858577 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 0.004950318687403737 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.9736,0.28580678 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.97359 -2.97359 -2.97359] (Cartesian), [-0.99998412 -0.99998412 -0.99998412] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.9736372068101646,0.2858226577821448 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.9736372068101646,0.2858226577821448 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 0.004953614892018914 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.9387,0.28599709 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.65705e-05 -1.65705e-05 -1.65705e-05] (Cartesian), [-5.63879729e-06 -5.63879729e-06 -5.63879729e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.9386585738460784,0.28599145033959705 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.9386585738460784,0.28599145033959705 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 0.00495671174769861 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.9034,0.28617589 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.90339 -2.90339 -2.90339] (Cartesian), [-0.99998739 -0.99998739 -0.99998739] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.903426624084023,0.2861885002726692 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.903426624084023,0.2861885002726692 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 0.004959621809221715 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.868,0.2863439 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.89175e-05 -1.89175e-05 -1.89175e-05] (Cartesian), [-6.59616874e-06 -6.59616874e-06 -6.59616874e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.867952706169128,0.28633730249454525 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.867952706169128,0.28633730249454525 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 0.004962323471680316 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.8323,0.28649988 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.22576e-05 -1.22576e-05 -1.22576e-05] (Cartesian), [-4.32783696e-06 -4.32783696e-06 -4.32783696e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.832269356038133,0.2864955513811025 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.832269356038133,0.2864955513811025 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 0.0049648101220989335 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.7964,0.28664345 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.50306e-14 -4.35652e-14 -4.39204e-14] (Cartesian), [-1.61030668e-14 -1.55790358e-14 -1.57060563e-14] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.7963989984208846,0.28664344604690406 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.7963989984208846,0.28664344604690406 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 0.004967074230741328 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.7604,0.28677416 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.53453e-05 -1.53453e-05 -1.53453e-05] (Cartesian), [-5.5591629e-06 -5.5591629e-06 -5.5591629e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.760361636821051,0.28676860525743675 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.760361636821051,0.28676860525743675 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 0.004969103971677478 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.7242,0.28689135 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.79548e-06 -8.79548e-06 -8.79548e-06] (Cartesian), [-3.228673e-06 -3.228673e-06 -3.228673e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.724178011306434,0.2868881228949205 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.724178011306434,0.2868881228949205 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 0.004970885583028682 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.6879,0.28699421 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.27409e-05 -1.27409e-05 -1.27409e-05] (Cartesian), [-4.74015067e-06 -4.74015067e-06 -4.74015067e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.687868147670573,0.28698947279657405 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.687868147670573,0.28698947279657405 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 0.00497240273515799 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.6515,0.28708181 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.95071e-05 -1.95071e-05 -1.95071e-05] (Cartesian), [-7.35714079e-06 -7.35714079e-06 -7.35714079e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.6514512321412083,0.2870744486254846 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.6514512321412083,0.2870744486254846 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 0.004973636508189524 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.6149,0.28715304 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.61488 -2.61488 -2.61488] (Cartesian), [-0.99997493 -0.99997493 -0.99997493] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.6149455641660557,0.2871781105462292 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.6149455641660557,0.2871781105462292 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 0.004974565187679013 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.5784,0.28720666 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.24311e-05 -1.24311e-05 -1.24311e-05] (Cartesian), [-4.82130385e-06 -4.82130385e-06 -4.82130385e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.578368922178167,0.287201833716936 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.578368922178167,0.287201833716936 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 0.004975163792961734 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.5417,0.28724122 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.54168 -2.54168 -2.54168] (Cartesian), [-0.99997712 -0.99997712 -0.99997712] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=2.5417381584149963,0.28726409686863197 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=2.5417381584149963,0.28726409686863197 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0046414465247048686 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9556,0.26797404 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.9556 -3.9556 -3.9556] (Cartesian), [-0.999999 -0.999999 -0.999999] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9556039682975324,0.2679750432557688 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9556039682975324,0.2679750432557688 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 0.004636292475746021 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9613,0.26767647 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.96129 -3.96129 -3.96129] (Cartesian), [-0.99999295 -0.99999295 -0.99999295] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9613179078714635,0.2676835159890254 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9613179078714635,0.2676835159890254 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 0.004630873287108688 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9672,0.26736359 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.96718 -3.96718 -3.96718] (Cartesian), [-0.99998534 -0.99998534 -0.99998534] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9672381461809474,0.2673782504790223 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9672381461809474,0.2673782504790223 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 0.004625162739794684 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9734,0.2670339 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.17428e-06 -6.17428e-06 -6.17428e-06] (Cartesian), [-1.55390949e-06 -1.55390949e-06 -1.55390949e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.973384564299507,0.2670323413771343 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.973384564299507,0.2670323413771343 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 0.004619128299730722 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9798,0.2666855 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.05157e-06 -8.05157e-06 -8.05157e-06] (Cartesian), [-2.02311943e-06 -2.02311943e-06 -2.02311943e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.97977987106692,0.26668347360766154 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.97977987106692,0.26668347360766154 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 0.004612734719259372 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9865,0.26631636 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.95098e-05 -1.95098e-05 -1.95098e-05] (Cartesian), [-4.89402702e-06 -4.89402702e-06 -4.89402702e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.9864512256088767,0.26631146915945636 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9864512256088767,0.26631146915945636 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 0.004605939521679696 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.9934,0.26592404 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.99339 -3.99339 -3.99339] (Cartesian), [-0.99998983 -0.99998983 -0.99998983] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=3.993430599986301,0.26593420896513575 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=3.993430599986301,0.26593420896513575 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 0.004598692009086452 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0008,0.26550561 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.74936e-05 -1.74936e-05 -1.74936e-05] (Cartesian), [-4.37257329e-06 -4.37257329e-06 -4.37257329e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.00075626602941,0.2655012343633316 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.00075626602941,0.2655012343633316 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 0.00459093115697894 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0085,0.26505753 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.01821e-05 -1.01821e-05 -1.01821e-05] (Cartesian), [-2.54014336e-06 -2.54014336e-06 -2.54014336e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.0084745446667585,0.26505499378792274 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0084745446667585,0.26505499378792274 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 0.004582580267848302 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0166,0.2645754 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.01658 -4.01658 -4.01658] (Cartesian), [-0.99998406 -0.99998406 -0.99998406] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.016644017091191,0.2645913330774279 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.016644017091191,0.2645913330774279 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 0.004573552663767387 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0253,0.26405419 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.02529 -4.02529 -4.02529] (Cartesian), [-0.99998988 -0.99998988 -0.99998988] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.025330750220965,0.2640643096045199 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.025330750220965,0.2640643096045199 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 0.004563724894696448 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0346,0.26348678 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.03459 -4.03459 -4.03459] (Cartesian), [-0.99999002 -0.99999002 -0.99999002] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.034630267530558,0.26349676012204015 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.034630267530558,0.26349676012204015 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 0.004552946725266983 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0447,0.2628645 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.64195e-05 -1.64195e-05 -1.64195e-05] (Cartesian), [-4.05955118e-06 -4.05955118e-06 -4.05955118e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.044658951232606,0.26286044219271654 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.044658951232606,0.26286044219271654 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 0.0045410152925963315 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0556,0.26217564 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.93573e-06 -9.93573e-06 -9.93573e-06] (Cartesian), [-2.44989418e-06 -2.44989418e-06 -2.44989418e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.055575160665856,0.262173190263286 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.055575160665856,0.262173190263286 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 0.0045276509223108425 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0676,0.26140405 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.93099e-15 -2.39808e-15 -3.10862e-15] (Cartesian), [-7.20570062e-16 -5.89556653e-16 -7.64239560e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.067598910186404,0.2614040478792816 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.067598910186404,0.2614040478792816 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 0.004512450910617755 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.081,0.26052647 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.08098 -4.08098 -4.08098] (Cartesian), [-0.99998291 -0.99998291 -0.99998291] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.081049737810451,0.26054356299901293 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.081049737810451,0.26054356299901293 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 0.004494788644063554 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0964,0.25950674 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.09639 -4.09639 -4.09639] (Cartesian), [-0.99999014 -0.99999014 -0.99999014] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.0964303856656965,0.2595166021058166 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.0964303856656965,0.2595166021058166 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 0.004473660513032189 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.1146,0.25828691 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.88922e-05 -1.88922e-05 -1.88922e-05] (Cartesian), [-4.59155613e-06 -4.59155613e-06 -4.59155613e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.114552769446142,0.2582823185900811 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.114552769446142,0.2582823185900811 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 0.00444711435902262 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.137,0.25675427 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.13699 -4.13699 -4.13699] (Cartesian), [-0.99999317 -0.99999317 -0.99999317] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.137018252428554,0.2567610964065514 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.137018252428554,0.2567610964065514 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 0.004410553055421809 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.1677,0.2546434 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.93735e-05 -1.93735e-05 -1.93735e-05] (Cartesian), [-4.6485412e-06 -4.6485412e-06 -4.6485412e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.167651566359712,0.25463875084109433 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.167651566359712,0.25463875084109433 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 0.004344042890234695 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.2234,0.25080343 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.89869e-06 -8.89869e-06 -8.89869e-06] (Cartesian), [-2.10700783e-06 -2.10700783e-06 -2.10700783e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.2233777532841055,0.25080132619699724 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.2233777532841055,0.25080132619699724 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 0.004287521518286026 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3371,0.24754017 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33708 -4.33708 -4.33708] (Cartesian), [-0.99998536 -0.99998536 -0.99998536] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337143476090732,0.24755480573407684 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337143476090732,0.24755480573407684 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 0.00428844291673678 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3373,0.24759337 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.8651e-06 -7.8651e-06 -7.8651e-06] (Cartesian), [-1.81337137e-06 -1.81337137e-06 -1.81337137e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337280337251561,0.24759155386685938 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337280337251561,0.24759155386685938 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 0.004289366186148771 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3374,0.24764667 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33739 -4.33739 -4.33739] (Cartesian), [-0.99999376 -0.99999376 -0.99999376] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337417076940126,0.2476529148641513 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337417076940126,0.2476529148641513 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 0.004290291314165848 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3376,0.24770008 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.85214e-05 -1.85214e-05 -1.85214e-05] (Cartesian), [-4.27001054e-06 -4.27001054e-06 -4.27001054e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337553696429585,0.24769581450301725 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337553696429585,0.24769581450301725 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 0.004291218305887664 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3377,0.2477536 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.92069e-06 -3.92069e-06 -3.92069e-06] (Cartesian), [-9.03865841e-07 -9.03865841e-07 -9.03865841e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337690198264658,0.2477527005397282 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337690198264658,0.2477527005397282 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 0.004292147126009582 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3378,0.24780723 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33779 -4.33779 -4.33779] (Cartesian), [-0.99999157 -0.99999157 -0.99999157] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337826580712385,0.2478156628190067 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337826580712385,0.2478156628190067 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 0.004293077789356891 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338,0.24786096 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.4861e-05 -1.4861e-05 -1.4861e-05] (Cartesian), [-3.42580159e-06 -3.42580159e-06 -3.42580159e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.337962847503625,0.2478575359321351 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.337962847503625,0.2478575359321351 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 0.004294010304367373 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3381,0.2479148 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.88178e-16 2.66454e-16 -8.88178e-16] (Cartesian), [-2.04738988e-16 6.14218348e-17 -2.04738988e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338099001061409,0.247914800512953 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338099001061409,0.247914800512953 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 0.00429494468944758 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3382,0.24796875 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33819 -4.33819 -4.33819] (Cartesian), [-0.99998962 -0.99998962 -0.99998962] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338235045149651,0.2479791305500405 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338235045149651,0.2479791305500405 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 0.0042958809435240265 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3384,0.2480228 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.16076e-05 -1.16076e-05 -1.16076e-05] (Cartesian), [-2.67556649e-06 -2.67556649e-06 -2.67556649e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338370980968785,0.2480201263485322 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338370980968785,0.2480201263485322 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 0.004296819074256816 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3385,0.24807696 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.3385 -4.3385 -4.3385] (Cartesian), [-0.99999843 -0.99999843 -0.99999843] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338506811395722,0.2480785349043062 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338506811395722,0.2480785349043062 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 0.004297759141164197 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3386,0.24813124 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33858 -4.33858 -4.33858] (Cartesian), [-0.99998558 -0.99998558 -0.99998558] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338642543642512,0.24814565519271614 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338642543642512,0.24814565519271614 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 0.004298701116764906 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3388,0.24818562 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.72934e-06 -8.72934e-06 -8.72934e-06] (Cartesian), [-2.01193508e-06 -2.01193508e-06 -2.01193508e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338778176655539,0.2481836127579209 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338778176655539,0.2481836127579209 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 0.004299645000897682 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3389,0.24824012 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.33889 -4.33889 -4.33889] (Cartesian), [-0.99999454 -0.99999454 -0.99999454] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.338913712089522,0.2482455848517755 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.338913712089522,0.2482455848517755 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 0.004266895228157393 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.3599,0.24634931 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.09617e-05 -1.09617e-05 -1.09617e-05] (Cartesian), [-2.51422484e-06 -2.51422484e-06 -2.51422484e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.359872595645058,0.24634679663321535 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.359872595645058,0.24634679663321535 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 0.004184275800138571 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.4577,0.24157928 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.02199e-06 -3.02199e-06 -3.02199e-06] (Cartesian), [-6.77926985e-07 -6.77926985e-07 -6.77926985e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.457692445032585,0.24157859803037884 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.457692445032585,0.24157859803037884 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 0.0040248460504243725 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6589,0.2323746 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.78237e-06 -5.78237e-06 -5.78237e-06] (Cartesian), [-1.24114876e-06 -1.24114876e-06 -1.24114876e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.658885544079478,0.23237335391717506 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.658885544079478,0.23237335391717506 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 0.004028060436438598 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6631,0.23256018 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.66309 -4.66309 -4.66309] (Cartesian), [-0.99999055 -0.99999055 -0.99999055] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.663134045942686,0.23256962329548148 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.663134045942686,0.23256962329548148 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 0.0040313820975650845 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6674,0.23275195 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.66738 -4.66738 -4.66738] (Cartesian), [-0.99998542 -0.99998542 -0.99998542] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.667448056576158,0.23276653503410683 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.667448056576158,0.23276653503410683 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 0.0040348130179350995 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6718,0.23295004 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.67179 -4.67179 -4.67179] (Cartesian), [-0.99999013 -0.99999013 -0.99999013] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.671836114088512,0.23295990885975115 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.671836114088512,0.23295990885975115 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 0.004038356143662763 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6763,0.2331546 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.6763 -4.6763 -4.6763] (Cartesian), [-0.99999857 -0.99999857 -0.99999857] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.676306667196482,0.23315602640251698 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.676306667196482,0.23315602640251698 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 0.0040420152955729025 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6809,0.23336586 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.26801e-05 -1.26801e-05 -1.26801e-05] (Cartesian), [-2.70892048e-06 -2.70892048e-06 -2.70892048e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.6808682997614826,0.2333631529762803 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6808682997614826,0.2333631529762803 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 0.004045795136151494 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6855,0.23358409 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.68549 -4.68549 -4.68549] (Cartesian), [-0.9999915 -0.9999915 -0.9999915] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.68552984690052,0.2335925953407545 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.68552984690052,0.2335925953407545 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 0.0040497012138490515 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6903,0.23380961 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.86517e-15 -5.32907e-16 -1.42109e-15] (Cartesian), [-3.97665344e-16 -1.13618944e-16 -3.02984845e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.690300594975372,0.2338096085953303 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.690300594975372,0.2338096085953303 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 0.004053740014255894 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.6952,0.23404279 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.82199e-06 -3.82199e-06 -3.82199e-06] (Cartesian), [-8.14022359e-07 -8.14022359e-07 -8.14022359e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.695190445023016,0.23404197482318168 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.695190445023016,0.23404197482318168 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 0.004057919036609191 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7002,0.23428406 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.7002 -4.7002 -4.7002] (Cartesian), [-0.99999785 -0.99999785 -0.99999785] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.70021008590543,0.23428621065501076 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.70021008590543,0.23428621065501076 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 0.004062246870440076 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7054,0.23453393 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.15439e-05 -1.15439e-05 -1.15439e-05] (Cartesian), [-2.45334526e-06 -2.45334526e-06 -2.45334526e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.705371140350594,0.23453147907106597 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.705371140350594,0.23453147907106597 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 0.004066733490811976 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7107,0.23479297 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.38334e-06 -5.38334e-06 -5.38334e-06] (Cartesian), [-1.14279308e-06 -1.14279308e-06 -1.14279308e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.710686541647609,0.23479182477119198 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.710686541647609,0.23479182477119198 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 0.004071390245670636 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7162,0.23506183 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.17704e-05 -1.17704e-05 -1.17704e-05] (Cartesian), [-2.49575367e-06 -2.49575367e-06 -2.49575367e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.716170573936718,0.23505932967772947 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.716170573936718,0.23505932967772947 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 0.004076230236183636 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7218,0.23534126 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.72178 -4.72178 -4.72178] (Cartesian), [-0.99998744 -0.99998744 -0.99998744] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.721839324304367,0.23535382622654533 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.721839324304367,0.23535382622654533 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 0.004081268547849529 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7277,0.23563215 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.7277 -4.7277 -4.7277] (Cartesian), [-0.99999768 -0.99999768 -0.99999768] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.727710977816975,0.2356344714888552 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.727710977816975,0.2356344714888552 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 0.004086522702305581 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7338,0.2359355 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.7338 -4.7338 -4.7338] (Cartesian), [-0.99999866 -0.99999866 -0.99999866] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.733806346322944,0.23593683886104455 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.733806346322944,0.23593683886104455 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 0.004092013227263755 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7401,0.23625249 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.74008 -4.74008 -4.74008] (Cartesian), [-0.99998533 -0.99998533 -0.99998533] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.740149528611915,0.23626716184963104 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.740149528611915,0.23626716184963104 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 0.004097764328321386 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7468,0.23658453 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.25244e-05 -1.25244e-05 -1.25244e-05] (Cartesian), [-2.63851071e-06 -2.63851071e-06 -2.63851071e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.746768688959644,0.23658189529249474 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.746768688959644,0.23658189529249474 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 0.00410380457116223 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7537,0.23693327 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.2546e-06 -1.2546e-06 -1.2546e-06] (Cartesian), [-2.6392091e-07 -2.6392091e-07 -2.6392091e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.753696863496172,0.23693300346530366 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.753696863496172,0.23693300346530366 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 0.004110169103130836 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.761,0.23730072 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.0237e-05 -1.0237e-05 -1.0237e-05] (Cartesian), [-2.15019009e-06 -2.15019009e-06 -2.15019009e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.760974407617673,0.2372985736206552 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.760974407617673,0.2372985736206552 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 0.004116898914018688 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7686,0.23768927 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.76858 -4.76858 -4.76858] (Cartesian), [-0.99998566 -0.99998566 -0.99998566] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.768648392971698,0.23770361183666866 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.768648392971698,0.23770361183666866 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 0.004124046443155972 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7768,0.23810193 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.524e-06 -8.524e-06 -8.524e-06] (Cartesian), [-1.78446618e-06 -1.78446618e-06 -1.78446618e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.776778690011506,0.23810014794448664 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.776778690011506,0.23810014794448664 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 0.004131676971962948 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7854,0.23854248 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.78538 -4.78538 -4.78538] (Cartesian), [-0.99998751 -0.99998751 -0.99998751] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.785439764207589,0.23855496995650438 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.785439764207589,0.23855496995650438 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 0.004139874611508934 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7947,0.23901577 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.79469 -4.79469 -4.79469] (Cartesian), [-0.99999219 -0.99999219 -0.99999219] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.7947274395937605,0.23902358062920426 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.7947274395937605,0.23902358062920426 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 0.004148750688265287 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8048,0.23952823 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.26212e-05 -1.26212e-05 -1.26212e-05] (Cartesian), [-2.62680713e-06 -2.62680713e-06 -2.62680713e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.804768447090047,0.239525605859934 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.804768447090047,0.239525605859934 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 0.004158457065341448 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8157,0.24008863 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.81569 -4.81569 -4.81569] (Cartesian), [-0.9999905 -0.9999905 -0.9999905] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.815735735673833,0.24009812773998163 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.815735735673833,0.24009812773998163 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 0.004169211629591811 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8279,0.24070955 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.06255e-06 -9.06255e-06 -9.06255e-06] (Cartesian), [-1.8771293e-06 -1.8771293e-06 -1.8771293e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.8278773436347535,0.24070766853603875 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8278773436347535,0.24070766853603875 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 0.00418134384046088 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8416,0.24141 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.25277e-05 -1.25277e-05 -1.25277e-05] (Cartesian), [-2.58752913e-06 -2.58752913e-06 -2.58752913e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.84156868065045,0.2414074116573166 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.84156868065045,0.2414074116573166 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 0.004195396663057949 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8574,0.24222134 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.85739 -4.85739 -4.85739] (Cartesian), [-0.99999198 -0.99999198 -0.99999198] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.857428950800456,0.24222935808750257 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.857428950800456,0.24222935808750257 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 0.0042123882042621455 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8766,0.24320235 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.87659 -4.87659 -4.87659] (Cartesian), [-0.99999379 -0.99999379 -0.99999379] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.8766202991229175,0.24320855950584108 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.8766202991229175,0.24320855950584108 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 0.004234716957417819 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9019,0.2444915 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.01184e-06 -6.01184e-06 -6.01184e-06] (Cartesian), [-1.22643433e-06 -1.22643433e-06 -1.22643433e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.901884970397211,0.244490271096377 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.901884970397211,0.244490271096377 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 0.004273009414375339 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9454,0.24670231 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.98789e-06 -2.98789e-06 -2.98789e-06] (Cartesian), [-6.0417651e-07 -6.0417651e-07 -6.0417651e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9453925302855035,0.24670170938743063 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9453925302855035,0.24670170938743063 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 0.004290494280029792 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9653,0.2477118 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.96528 -4.96528 -4.96528] (Cartesian), [-0.99998639 -0.99998639 -0.99998639] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.965347572915481,0.24772541165255002 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.965347572915481,0.24772541165255002 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 0.004294788638465679 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9703,0.24795974 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.84579e-05 -1.84579e-05 -1.84579e-05] (Cartesian), [-3.71367349e-06 -3.71367349e-06 -3.71367349e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.970253855270083,0.24795602397957683 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.970253855270083,0.24795602397957683 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 0.004297730002126912 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9736,0.24812956 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.97359 -4.97359 -4.97359] (Cartesian), [-0.99999487 -0.99999487 -0.99999487] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.973615525053793,0.2481346894555012 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.973615525053793,0.2481346894555012 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 0.004300051533640156 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9763,0.24826359 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.2111e-05 -1.2111e-05 -1.2111e-05] (Cartesian), [-2.43375072e-06 -2.43375072e-06 -2.43375072e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.976269722591022,0.2482611572969251 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.976269722591022,0.2482611572969251 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 0.00430200424661876 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9785,0.24837633 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.9785 -4.9785 -4.9785] (Cartesian), [-0.99999941 -0.99999941 -0.99999941] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9785029495909745,0.24837692344947215 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9785029495909745,0.24837692344947215 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 0.004303708180765721 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9805,0.24847471 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.90839e-05 -1.90839e-05 -1.90839e-05] (Cartesian), [-3.83176043e-06 -3.83176043e-06 -3.83176043e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.980452290366883,0.24847087590744033 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.980452290366883,0.24847087590744033 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 0.004305229706921805 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9822,0.24856255 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.45215e-06 -2.45215e-06 -2.45215e-06] (Cartesian), [-4.92182774e-07 -4.92182774e-07 -4.92182774e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.982193869615632,0.24856206083867383 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.982193869615632,0.24856206083867383 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 0.004306607828159949 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9838,0.24864212 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.07239e-05 -1.07239e-05 -1.07239e-05] (Cartesian), [-2.15176325e-06 -2.15176325e-06 -2.15176325e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.983773190143196,0.24863996712497927 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.983773190143196,0.24863996712497927 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 0.004307869503141961 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9852,0.24871496 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.98519 -4.98519 -4.98519] (Cartesian), [-0.99999365 -0.99999365 -0.99999365] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9852216626327275,0.24872131302615186 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9852216626327275,0.24872131302615186 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 0.004309035051850961 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9866,0.24878225 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.4888e-05 -1.4888e-05 -1.4888e-05] (Cartesian), [-2.9856237e-06 -2.9856237e-06 -2.9856237e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9865627798887,0.24877926908967218 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9865627798887,0.24877926908967218 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 0.004310119560500344 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9878,0.24884487 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.98779 -4.98779 -4.98779] (Cartesian), [-0.99999521 -0.99999521 -0.99999521] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9878138751309855,0.24884965554187777 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9878138751309855,0.24884965554187777 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 0.004311134583846544 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.989,0.24890347 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.718e-06 -4.718e-06 -4.718e-06] (Cartesian), [-9.45682733e-07 -9.45682733e-07 -9.45682733e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9889882049928795,0.24890252556691816 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9889882049928795,0.24890252556691816 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 0.004312089905876476 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9901,0.24895863 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.3005e-06 -1.3005e-06 -1.3005e-06] (Cartesian), [-2.6061619e-07 -2.6061619e-07 -2.6061619e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.990096748744742,0.24895836617657552 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.990096748744742,0.24895836617657552 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 0.004312992877676794 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9911,0.24901076 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.99108 -4.99108 -4.99108] (Cartesian), [-0.9999864 -0.9999864 -0.9999864] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.991147903647353,0.24902436470966216 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.991147903647353,0.24902436470966216 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 0.004313849680329627 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9921,0.24906023 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.99208 -4.99208 -4.99208] (Cartesian), [-0.99998625 -0.99998625 -0.99998625] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.992148631225325,0.2490739752511153 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.992148631225325,0.2490739752511153 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 0.004314665437841009 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9931,0.24910733 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.9931 -4.9931 -4.9931] (Cartesian), [-0.99999906 -0.99999906 -0.99999906] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.993104679938199,0.2491082624802774 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.993104679938199,0.2491082624802774 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 0.004315444444250985 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.994,0.2491523 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.99399 -4.99399 -4.99399] (Cartesian), [-0.99999382 -0.99999382 -0.99999382] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.994020850773929,0.24915847869819308 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.994020850773929,0.24915847869819308 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 0.004316190340624079 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9949,0.24919537 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.44089e-15 -2.66454e-15 -4.61853e-15] (Cartesian), [-8.89084653e-16 -5.33451993e-16 -9.24648920e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.994901200039208,0.24919536550329702 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.994901200039208,0.24919536550329702 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 0.004316906244185094 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9957,0.2492367 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.99568 -4.99568 -4.99568] (Cartesian), [-0.99998615 -0.99998615 -0.99998615] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.995749188135664,0.24925054761603693 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.995749188135664,0.24925054761603693 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 0.004317594844087865 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9966,0.24927645 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.28837e-05 -1.28837e-05 -1.28837e-05] (Cartesian), [-2.57851e-06 -2.57851e-06 -2.57851e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.996567790792681,0.24927387603858997 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.996567790792681,0.24927387603858997 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 0.0043182584778485985 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9974,0.24931477 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.61653e-05 -1.61653e-05 -1.61653e-05] (Cartesian), [-3.23476822e-06 -3.23476822e-06 -3.23476822e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.997359586716382,0.2493115346934025 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.997359586716382,0.2493115346934025 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 0.004318899190633174 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9981,0.24935176 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.99809 -4.99809 -4.99809] (Cartesian), [-0.99999263 -0.99999263 -0.99999263] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.9981268257109255,0.24935912893395007 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9981268257109255,0.24935912893395007 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 0.004319518781995706 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9989,0.24938753 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.1407e-05 -1.1407e-05 -1.1407e-05] (Cartesian), [-2.28191504e-06 -2.28191504e-06 -2.28191504e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.998871482390629,0.2493852512404502 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.998871482390629,0.2493852512404502 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 0.004320118848482022 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.9996,0.24942218 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.87887e-06 -1.87887e-06 -1.87887e-06] (Cartesian), [-3.75804417e-07 -3.75804417e-07 -3.75804417e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=4.999595302826385,0.24942180220581012 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=4.999595302826385,0.24942180220581012 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 0.0043207008120885355 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0003,0.24945578 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.84217e-15 -7.10543e-16 -2.48690e-15] (Cartesian), [-5.68399914e-16 -1.42100079e-16 -4.97350175e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.000299837854754,0.2494557776947146 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.000299837854754,0.2494557776947146 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 0.00432126594534983 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.001,0.24948841 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.41137e-06 -5.41137e-06 -5.41137e-06] (Cartesian), [-1.08206052e-06 -1.08206052e-06 -1.08206052e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.000986471570837,0.24948732361825332 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.000986471570837,0.24948732361825332 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 0.004321815392209091 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0017,0.24952013 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.7422e-05 -1.7422e-05 -1.7422e-05] (Cartesian), [-3.48324604e-06 -3.48324604e-06 -3.48324604e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.00165644491253,0.2495166447619399 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.00165644491253,0.2495166447619399 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 0.004322350185337712 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0023,0.249551 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0023 -5.0023 -5.0023] (Cartesian), [-0.99999783 -0.99999783 -0.99999783] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.00231087518105,0.24955317833508284 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.00231087518105,0.24955317833508284 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 0.0043228712595725265 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.003,0.24958109 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.96913e-05 -1.96913e-05 -1.96913e-05] (Cartesian), [-3.93593719e-06 -3.93593719e-06 -3.93593719e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.002950771625827,0.24957715260143987 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.002950771625827,0.24957715260143987 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 0.004323379465201078 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0036,0.24961043 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.18005e-06 -9.18005e-06 -9.18005e-06] (Cartesian), [-1.83469744e-06 -1.83469744e-06 -1.83469744e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0035770498844006,0.2496085951068352 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0035770498844006,0.2496085951068352 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 0.004323875579392366 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0042,0.24963907 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.78228e-06 -3.78228e-06 -3.78228e-06] (Cartesian), [-7.55822538e-07 -7.55822538e-07 -7.55822538e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.004190544292393,0.24963831714792484 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.004190544292393,0.24963831714792484 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 0.00432436031375461 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0048,0.24966706 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.19326e-06 -3.19326e-06 -3.19326e-06] (Cartesian), [-6.380405e-07 -6.380405e-07 -6.380405e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0047920168536715,0.24966642108141612 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0047920168536715,0.24966642108141612 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 0.004324834321844685 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0054,0.24969443 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.13375e-06 -7.13375e-06 -7.13375e-06] (Cartesian), [-1.42521585e-06 -1.42521585e-06 -1.42521585e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.005382165628955,0.2496930007759055 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.005382165628955,0.2496930007759055 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 0.0043252982056289635 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.006,0.24972121 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.53472e-05 -1.53472e-05 -1.53472e-05] (Cartesian), [-3.06578458e-06 -3.06578458e-06 -3.06578458e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.005961631934488,0.24971814254994462 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.005961631934488,0.24971814254994462 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 0.004325752521067107 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0065,0.24974744 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.00649 -5.00649 -5.00649] (Cartesian), [-0.99999181 -0.99999181 -0.99999181] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.006531006547054,0.24975562885940406 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.006531006547054,0.24975562885940406 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 0.004326197782955548 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0071,0.24977315 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.66596e-06 -3.66596e-06 -3.66596e-06] (Cartesian), [-7.32153684e-07 -7.32153684e-07 -7.32153684e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.007090835091449,0.2497724133020116 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.007090835091449,0.2497724133020116 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 0.004326634468401649 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0076,0.24979836 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.00758 -5.00758 -5.00758] (Cartesian), [-0.99998769 -0.99998769 -0.99998769] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.007641622227866,0.24981066314024614 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.007641622227866,0.24981066314024614 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 0.004327063021458837 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0082,0.2498231 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.46546e-06 -6.46546e-06 -6.46546e-06] (Cartesian), [-1.29097897e-06 -1.29097897e-06 -1.29097897e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.008183836359793,0.24982180904500617 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.008183836359793,0.24982180904500617 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 0.004327483856828086 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0087,0.2498474 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.00869 -5.00869 -5.00869] (Cartesian), [-0.99999443 -0.99999443 -0.99999443] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0087179135030455,0.24985296994899686 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0087179135030455,0.24985296994899686 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 0.00432789736205236 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0092,0.24987127 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.00918 -5.00918 -5.00918] (Cartesian), [-0.99998717 -0.99998717 -0.99998717] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.009244260006454,0.24988409898429342 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.009244260006454,0.24988409898429342 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 0.004328303900047916 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0098,0.24989474 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.46979e-05 -1.46979e-05 -1.46979e-05] (Cartesian), [-2.93385121e-06 -2.93385121e-06 -2.93385121e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.009763255333241,0.24989180833150493 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.009763255333241,0.24989180833150493 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 0.004328703811348973 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0103,0.24991783 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.89819e-06 -9.89819e-06 -9.89819e-06] (Cartesian), [-1.97557809e-06 -1.97557809e-06 -1.97557809e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.010275254526056,0.2499158554943628 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.010275254526056,0.2499158554943628 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 0.004329097416105785 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0108,0.24994056 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.76384e-06 -7.76384e-06 -7.76384e-06] (Cartesian), [-1.54942725e-06 -1.54942725e-06 -1.54942725e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.010780590397471,0.24993900642642752 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.010780590397471,0.24993900642642752 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 0.004329485015869979 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0113,0.24996293 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.16981e-06 -8.16981e-06 -8.16981e-06] (Cartesian), [-1.63028422e-06 -1.63028422e-06 -1.63028422e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.011279575481357,0.24996130365228186 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.011279575481357,0.24996130365228186 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 0.004329866895193504 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0118,0.24998498 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.09985e-05 -1.09985e-05 -1.09985e-05] (Cartesian), [-2.19453297e-06 -2.19453297e-06 -2.19453297e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.01177250377623,0.2499827872165521 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.01177250377623,0.2499827872165521 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 0.004330243300644332 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0123,0.25000671 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.61353e-05 -1.61353e-05 -1.61353e-05] (Cartesian), [-3.21916682e-06 -3.21916682e-06 -3.21916682e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.012259661752476,0.2500034943615377 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.012259661752476,0.2500034943615377 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 0.004330614542216013 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0127,0.25002815 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01268 -5.01268 -5.01268] (Cartesian), [-0.99998778 -0.99998778 -0.99998778] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.012741272323207,0.2500403704870138 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.012741272323207,0.2500403704870138 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 0.004330980819452764 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0132,0.25004929 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01319 -5.01319 -5.01319] (Cartesian), [-0.99999449 -0.99999449 -0.99999449] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0132176095649115,0.25005480155078774 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0132176095649115,0.25005480155078774 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 0.004331342374071152 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0137,0.25007017 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.41621e-06 -4.41621e-06 -4.41621e-06] (Cartesian), [-8.80830469e-07 -8.80830469e-07 -8.80830469e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.013688959462861,0.25006928773177295 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.013688959462861,0.25006928773177295 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 0.004331699413718488 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0142,0.25009078 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.78145e-05 -1.78145e-05 -1.78145e-05] (Cartesian), [-3.55284158e-06 -3.55284158e-06 -3.55284158e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.014155463782213,0.2500872294143166 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.014155463782213,0.2500872294143166 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 0.004332052153768853 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0146,0.25011115 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01459 -5.01459 -5.01459] (Cartesian), [-0.99999454 -0.99999454 -0.99999454] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.014617362990371,0.25011660435791594 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.014617362990371,0.25011660435791594 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 0.0043324007930744726 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0151,0.25013128 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.0057e-05 -1.0057e-05 -1.0057e-05] (Cartesian), [-2.00535392e-06 -2.00535392e-06 -2.00535392e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.015074857410544,0.2501292710579759 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.015074857410544,0.2501292710579759 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 0.004332745521786345 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0155,0.25015118 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01549 -5.01549 -5.01549] (Cartesian), [-0.9999924 -0.9999924 -0.9999924] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.015528137790469,0.2501587832764287 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.015528137790469,0.2501587832764287 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 0.00433308652202073 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.016,0.25017087 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.0456e-06 -9.0456e-06 -9.0456e-06] (Cartesian), [-1.80335741e-06 -1.80335741e-06 -1.80335741e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.015977386009339,0.25016906363364955 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.015977386009339,0.25016906363364955 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 0.004333423968471477 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0164,0.25019035 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01639 -5.01639 -5.01639] (Cartesian), [-0.99999347 -0.99999347 -0.99999347] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0164227757253315,0.25019688315579836 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0164227757253315,0.25019688315579836 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 0.0043337580289371826 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0169,0.25020964 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.42108e-05 -1.42108e-05 -1.42108e-05] (Cartesian), [-2.83260592e-06 -2.83260592e-06 -2.83260592e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.01686447294563,0.2502068038550411 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.01686447294563,0.2502068038550411 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 0.004334088864425754 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0173,0.25022874 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0173 -5.0173 -5.0173] (Cartesian), [-0.99999947 -0.99999947 -0.99999947] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.017302636324029,0.2502292627032823 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.017302636324029,0.2502292627032823 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 0.004334416630457769 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0177,0.25024766 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01769 -5.01769 -5.01769] (Cartesian), [-0.99999055 -0.99999055 -0.99999055] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.017737418154418,0.2502571109442644 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.017737418154418,0.2502571109442644 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 0.004334741477296591 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0182,0.25026642 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.24141e-05 -1.24141e-05 -1.24141e-05] (Cartesian), [-2.47383061e-06 -2.47383061e-06 -2.47383061e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0181689647024035,0.2502639420478523 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0181689647024035,0.2502639420478523 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 0.004335063550213763 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0186,0.25028501 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.03338e-06 -1.03338e-06 -1.03338e-06] (Cartesian), [-2.05910121e-07 -2.05910121e-07 -2.05910121e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.018597416539797,0.250284804856886 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.018597416539797,0.250284804856886 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 0.0043353829898761164 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.019,0.25030345 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01899 -5.01899 -5.01899] (Cartesian), [-0.99999344 -0.99999344 -0.99999344] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.019022908940686,0.2503100104666067 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.019022908940686,0.2503100104666067 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 0.004335699932710903 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0194,0.25032175 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01938 -5.01938 -5.01938] (Cartesian), [-0.99998694 -0.99998694 -0.99998694] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.019445572247883,0.2503348159711818 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.019445572247883,0.2503348159711818 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 0.004336014511248103 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0199,0.25033991 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.37871e-05 -1.37871e-05 -1.37871e-05] (Cartesian), [-2.74650783e-06 -2.74650783e-06 -2.74650783e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.019865532218109,0.2503371680200912 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.019865532218109,0.2503371680200912 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 0.004336326854442458 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0203,0.25035795 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.83586e-06 -6.83586e-06 -6.83586e-06] (Cartesian), [-1.36164836e-06 -1.36164836e-06 -1.36164836e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.020282910337946,0.2503565860222956 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.020282910337946,0.2503565860222956 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 0.00433663708797798 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0207,0.25037586 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [3.46390e-15 7.54952e-15 4.44089e-15] (Cartesian), [6.89924015e-16 1.50367942e-15 8.84516487e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.020697824123531,0.2503758590121834 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.020697824123531,0.2503758590121834 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 0.004336945334556734 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0211,0.25039366 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0211 -5.0211 -5.0211] (Cartesian), [-0.99999793 -0.99999793 -0.99999793] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.02111038739921,0.25039572438214286 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.02111038739921,0.25039572438214286 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 0.0043372517141737925 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0215,0.25041134 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02149 -5.02149 -5.02149] (Cartesian), [-0.99999388 -0.99999388 -0.99999388] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.021520710560114,0.25041746026094125 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.021520710560114,0.25041746026094125 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 0.004337556344211317 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0219,0.25042893 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02189 -5.02189 -5.02189] (Cartesian), [-0.99999225 -0.99999225 -0.99999225] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.021928900720341,0.25043667846662476 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.021928900720341,0.25043667846662476 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 0.004337859339673519 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0223,0.25044643 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02229 -5.02229 -5.02229] (Cartesian), [-0.99999103 -0.99999103 -0.99999103] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.022335061937959,0.2504553980549067 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.022335061937959,0.2504553980549067 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 0.004338160813972225 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0227,0.25046383 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02268 -5.02268 -5.02268] (Cartesian), [-0.99998819 -0.99998819 -0.99998819] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.022739295751675,0.25047563683423957 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.022739295751675,0.25047563683423957 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 0.004338460878813641 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0231,0.25048116 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02308 -5.02308 -5.02308] (Cartesian), [-0.99998772 -0.99998772 -0.99998772] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0231417011879245,0.25049343901106935 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0231417011879245,0.25049343901106935 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 0.004338759644417831 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0235,0.2504984 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02348 -5.02348 -5.02348] (Cartesian), [-0.99998758 -0.99998758 -0.99998758] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.023542374955654,0.25051082139359204 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.023542374955654,0.25051082139359204 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 0.004339057219743509 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0239,0.25051559 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02388 -5.02388 -5.02388] (Cartesian), [-0.99998778 -0.99998778 -0.99998778] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.023941411639611,0.25052780918174355 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.023941411639611,0.25052780918174355 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 0.0043393537127068985 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0243,0.2505327 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02428 -5.02428 -5.02428] (Cartesian), [-0.99998828 -0.99998828 -0.99998828] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.024338903884042,0.2505444271224011 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.024338903884042,0.2505444271224011 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 0.004339649230400002 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0247,0.25054977 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02469 -5.02469 -5.02469] (Cartesian), [-0.99999106 -0.99999106 -0.99999106] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.024734942572707,0.25055870940335545 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.024734942572707,0.25055870940335545 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 0.00433994387930691 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0251,0.25056678 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02509 -5.02509 -5.02509] (Cartesian), [-0.99999212 -0.99999212 -0.99999212] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.025129617002222,0.2505746604757575 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.025129617002222,0.2505746604757575 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 0.004340237765520466 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0255,0.25058374 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02549 -5.02549 -5.02549] (Cartesian), [-0.99999343 -0.99999343 -0.99999343] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.02552301505165,0.2505903137027885 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.02552301505165,0.2505903137027885 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 0.0043405309949601295 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0259,0.25060067 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02589 -5.02589 -5.02589] (Cartesian), [-0.99999498 -0.99999498 -0.99999498] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0259152233499025,0.250605692494668 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0259152233499025,0.250605692494668 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 0.004340823673592415 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0263,0.25061757 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0263 -5.0263 -5.0263] (Cartesian), [-0.99999874 -0.99999874 -0.99999874] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.026306327440429,0.25061883051019374 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.026306327440429,0.25061883051019374 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 0.004341115907596782 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0267,0.25063444 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.43524e-06 -1.43524e-06 -1.43524e-06] (Cartesian), [-2.85523509e-07 -2.85523509e-07 -2.85523509e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.026696411910269,0.25063415825992963 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.026696411910269,0.25063415825992963 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 0.004341407803355512 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0271,0.2506513 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.77583e-06 -5.77583e-06 -5.77583e-06] (Cartesian), [-1.14894205e-06 -1.14894205e-06 -1.14894205e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.027085560416924,0.2506501474508749 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.027085560416924,0.2506501474508749 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 0.004341699468292183 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0275,0.25066814 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.04575e-05 -1.04575e-05 -1.04575e-05] (Cartesian), [-2.08007049e-06 -2.08007049e-06 -2.08007049e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.027473856195369,0.2506660556054081 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.027473856195369,0.2506660556054081 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 0.004341991010869738 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0279,0.25068497 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.54472e-05 -1.54472e-05 -1.54472e-05] (Cartesian), [-3.07232018e-06 -3.07232018e-06 -3.07232018e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.027861382085669,0.2506818955742769 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.027861382085669,0.2506818955742769 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 0.004342282540789896 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0282,0.2507018 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02818 -5.02818 -5.02818] (Cartesian), [-0.99998643 -0.99998643 -0.99998643] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.028248220666583,0.25071536686412044 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.028248220666583,0.25071536686412044 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 0.004342574169262348 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0286,0.25071864 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02859 -5.02859 -5.02859] (Cartesian), [-0.99999116 -0.99999116 -0.99999116] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.028634454432398,0.25072747681923446 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.028634454432398,0.25072747681923446 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 0.00434286600928851 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.029,0.25073549 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.02899 -5.02899 -5.02899] (Cartesian), [-0.999994 -0.999994 -0.999994] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.029020165972262,0.2507414843313793 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.029020165972262,0.2507414843313793 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 0.004343158175963287 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0294,0.25075235 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0294 -5.0294 -5.0294] (Cartesian), [-0.99999892 -0.99999892 -0.99999892] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.029405438158487,0.2507534354751928 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.029405438158487,0.2507534354751928 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 0.004343450786795799 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0298,0.25076925 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.85826e-06 -3.85826e-06 -3.85826e-06] (Cartesian), [-7.67081673e-07 -7.67081673e-07 -7.67081673e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.029790354344017,0.25076848101517335 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.029790354344017,0.25076848101517335 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 0.004343743962053625 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0302,0.25078617 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00006e-05 -1.00006e-05 -1.00006e-05] (Cartesian), [-1.98812169e-06 -1.98812169e-06 -1.98812169e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.030174998569111,0.250784186456563 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.030174998569111,0.250784186456563 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 0.004344037825135295 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0306,0.25080314 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.62177e-05 -1.62177e-05 -1.62177e-05] (Cartesian), [-3.22383626e-06 -3.22383626e-06 -3.22383626e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.030559455785873,0.2507999169349162 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.030559455785873,0.2507999169349162 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 0.004344332502972503 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0309,0.25082015 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03088 -5.03088 -5.03088] (Cartesian), [-0.99998732 -0.99998732 -0.99998732] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.030943812089986,0.2508328379242717 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.030943812089986,0.2508328379242717 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 0.0043446281264692636 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0313,0.25083722 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03129 -5.03129 -5.03129] (Cartesian), [-0.99999242 -0.99999242 -0.99999242] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.031328154982377,0.25084480531576725 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.031328154982377,0.25084480531576725 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 0.0043449248307794 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0317,0.25085435 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03169 -5.03169 -5.03169] (Cartesian), [-0.99999551 -0.99999551 -0.99999551] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.031712573528232,0.2508588383174488 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.031712573528232,0.2508588383174488 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 0.00434522275596418 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0321,0.25087155 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.13651e-06 -1.13651e-06 -1.13651e-06] (Cartesian), [-2.25852157e-07 -2.25852157e-07 -2.25852157e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0320971587338725,0.25087132693232483 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0320971587338725,0.25087132693232483 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 0.004345522047909687 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0325,0.25088883 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.19837e-06 -7.19837e-06 -7.19837e-06] (Cartesian), [-1.43038167e-06 -1.43038167e-06 -1.43038167e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.032482004067448,0.2508874020313454 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.032482004067448,0.2508874020313454 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 0.0043458228587063405 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0329,0.2509062 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.31177e-05 -1.31177e-05 -1.31177e-05] (Cartesian), [-2.60640694e-06 -2.60640694e-06 -2.60640694e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.032867205674048,0.25090359332551815 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.032867205674048,0.25090359332551815 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 0.004346125347367428 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0333,0.25092366 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.88549e-05 -1.88549e-05 -1.88549e-05] (Cartesian), [-3.74606651e-06 -3.74606651e-06 -3.74606651e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.033252862777581,0.250919917856933 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.033252862777581,0.250919917856933 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 0.004346429680633361 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0336,0.25094123 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03358 -5.03358 -5.03358] (Cartesian), [-0.99998826 -0.99998826 -0.99998826] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.033639078135757,0.2509529712777798 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.033639078135757,0.2509529712777798 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 0.004346736033874334 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.034,0.25095892 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03399 -5.03399 -5.03399] (Cartesian), [-0.99999286 -0.99999286 -0.99999286] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.034025958539692,0.25096606502315 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.034025958539692,0.25096606502315 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 0.004347044592110243 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0344,0.25097674 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.03439 -5.03439 -5.03439] (Cartesian), [-0.99999531 -0.99999531 -0.99999531] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.034413615387964,0.25098142733558704 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.034413615387964,0.25098142733558704 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 0.004347355551166252 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0348,0.25099469 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [4.79616e-15 8.08242e-15 4.79616e-15] (Cartesian), [9.52601481e-16 1.60531034e-15 9.52601481e-16] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.034802165324356,0.2509946897728885 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.034802165324356,0.2509946897728885 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 0.004347669118989676 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0352,0.25101279 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.30761e-06 -3.30761e-06 -3.30761e-06] (Cartesian), [-6.56898521e-07 -6.56898521e-07 -6.56898521e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.035191730972252,0.25101213672109246 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.035191730972252,0.25101213672109246 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 0.004347985517154477 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0356,0.25103106 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.02329e-06 -7.02329e-06 -7.02329e-06] (Cartesian), [-1.3947324e-06 -1.3947324e-06 -1.3947324e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.035582441765983,0.25102966614377187 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.035582441765983,0.25102966614377187 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 0.0043483049825936695 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.036,0.25104951 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.0226e-05 -1.0226e-05 -1.0226e-05] (Cartesian), [-2.03059013e-06 -2.03059013e-06 -2.03059013e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.035974434912505,0.25104747463177346 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.035974434912505,0.25104747463177346 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 0.004348627769483532 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0364,0.25106814 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.28574e-05 -1.28574e-05 -1.28574e-05] (Cartesian), [-2.55291122e-06 -2.55291122e-06 -2.55291122e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.036367856429807,0.25106558842046334 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.036367856429807,0.25106558842046334 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 0.004348954151392931 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0368,0.25108699 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.48551e-05 -1.48551e-05 -1.48551e-05] (Cartesian), [-2.9493348e-06 -2.9493348e-06 -2.9493348e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.03676286233282,0.25108403566520465 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.03676286233282,0.25108403566520465 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 0.004349284424643597 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0372,0.25110605 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.61518e-05 -1.61518e-05 -1.61518e-05] (Cartesian), [-3.20652932e-06 -3.20652932e-06 -3.20652932e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.037159620495976,0.25110284680570727 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.037159620495976,0.25110284680570727 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 0.004349618911174049 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0376,0.25112536 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.66751e-05 -1.66751e-05 -1.66751e-05] (Cartesian), [-3.31015523e-06 -3.31015523e-06 -3.31015523e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.037558312227269,0.25112205476863303 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.037558312227269,0.25112205476863303 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 0.004349957962283712 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.038,0.25114494 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.63463e-05 -1.63463e-05 -1.63463e-05] (Cartesian), [-3.24462735e-06 -3.24462735e-06 -3.24462735e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.037959134329295,0.2511416954214567 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.037959134329295,0.2511416954214567 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 0.0043503019631243 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0384,0.2511648 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.50794e-05 -1.50794e-05 -1.50794e-05] (Cartesian), [-2.99291696e-06 -2.99291696e-06 -2.99291696e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.038362301572466,0.2511618080296354 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.038362301572466,0.2511618080296354 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 0.00435065133808401 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0388,0.25118497 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.27801e-05 -1.27801e-05 -1.27801e-05] (Cartesian), [-2.5363541e-06 -2.5363541e-06 -2.5363541e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.038768049651199,0.25118243576520327 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.038768049651199,0.25118243576520327 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 0.004351006557292918 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0392,0.25120548 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.3445e-06 -9.3445e-06 -9.3445e-06] (Cartesian), [-1.8543704e-06 -1.8543704e-06 -1.8543704e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.039176638760266,0.2512036263394912 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.039176638760266,0.2512036263394912 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 0.004351368144546943 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0396,0.25122636 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.65683e-06 -4.65683e-06 -4.65683e-06] (Cartesian), [-9.24049678e-07 -9.24049678e-07 -9.24049678e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.039588357936552,0.2512254329100583 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.039588357936552,0.2512254329100583 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 0.004351736687049309 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.04,0.25124763 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04 -5.04 -5.04] (Cartesian), [-0.9999993 -0.9999993 -0.9999993] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.040003530396868,0.2512483352461099 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.040003530396868,0.2512483352461099 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 0.0043521128475059526 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0404,0.25126935 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04039 -5.04039 -5.04039] (Cartesian), [-0.99999355 -0.99999355 -0.99999355] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.04042252015949,0.2512758042768366 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.04042252015949,0.2512758042768366 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 0.00435249737923866 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0408,0.25129155 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04078 -5.04078 -5.04078] (Cartesian), [-0.99998696 -0.99998696 -0.99998696] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.040845740300435,0.2513045948770243 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.040845740300435,0.2513045948770243 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 0.004352891144982816 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0413,0.25131429 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.05347e-05 -1.05347e-05 -1.05347e-05] (Cartesian), [-2.08969017e-06 -2.08969017e-06 -2.08969017e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.041273663204772,0.2513121977407331 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.041273663204772,0.2513121977407331 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 0.00435329514266243 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0417,0.25133761 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0417 -5.0417 -5.0417] (Cartesian), [-0.99999864 -0.99999864 -0.99999864] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.041706834638162,0.25133896786771626 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.041706834638162,0.25133896786771626 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 0.004353710537550268 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0421,0.2513616 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04208 -5.04208 -5.04208] (Cartesian), [-0.99998693 -0.99998693 -0.99998693] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.042145891241151,0.25137466317776713 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.042145891241151,0.25137466317776713 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 0.004354138705268714 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0426,0.25138632 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.36644e-06 -3.36644e-06 -3.36644e-06] (Cartesian), [-6.67601162e-07 -6.67601162e-07 -6.67601162e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.042591583910984,0.25138564775642736 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.042591583910984,0.25138564775642736 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 0.004354581290233664 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.043,0.25141187 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04298 -5.04298 -5.04298] (Cartesian), [-0.99998715 -0.99998715 -0.99998715] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.043044809531096,0.2514247192825789 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.043044809531096,0.2514247192825789 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 0.004355040286622035 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0435,0.25143837 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0435 -5.0435 -5.0435] (Cartesian), [-0.99999868 -0.99999868 -0.99999868] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.043506654873256,0.25143968767459635 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.043506654873256,0.25143968767459635 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 0.004355518153454386 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.044,0.25146596 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.61644e-06 -8.61644e-06 -8.61644e-06] (Cartesian), [-1.70826265e-06 -1.70826265e-06 -1.70826265e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.043978458902626,0.25146424957307434 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.043978458902626,0.25146424957307434 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 0.004356017983167808 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0445,0.25149482 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.52384e-05 -1.52384e-05 -1.52384e-05] (Cartesian), [-3.02081774e-06 -3.02081774e-06 -3.02081774e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.04446190394709,0.2514917946999433 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.04446190394709,0.2514917946999433 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 0.004356543757553465 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.045,0.25152517 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.63384e-05 -1.63384e-05 -1.63384e-05] (Cartesian), [-3.23855942e-06 -3.23855942e-06 -3.23855942e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.044959153878031,0.2515219325565696 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.044959153878031,0.2515219325565696 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 0.004357100752593949 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0455,0.25155733 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.0771e-05 -1.0771e-05 -1.0771e-05] (Cartesian), [-2.13478495e-06 -2.13478495e-06 -2.13478495e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.045473072430476,0.25155519445469365 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.045473072430476,0.25155519445469365 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 0.004357696218636382 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.046,0.25159171 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.046 -5.046 -5.046] (Cartesian), [-0.9999985 -0.9999985 -0.9999985] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.046007589499528,0.25159321254790457 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.046007589499528,0.25159321254790457 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 0.004358340599349328 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0466,0.25162891 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.26573e-05 -1.26573e-05 -1.26573e-05] (Cartesian), [-2.50810038e-06 -2.50810038e-06 -2.50810038e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.046568356665704,0.25162640372506706 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.046568356665704,0.25162640372506706 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 0.004359049925236358 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0472,0.25166986 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.43869e-05 -1.43869e-05 -1.43869e-05] (Cartesian), [-2.85049186e-06 -2.85049186e-06 -2.85049186e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.04716403263472,0.2516670142827646 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.04716403263472,0.2516670142827646 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 0.004359851162992598 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0478,0.25171612 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0478 -5.0478 -5.0478] (Cartesian), [-0.99999819 -0.99999819 -0.99999819] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.047809151966315,0.2517179373151699 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.047809151966315,0.2517179373151699 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 0.004360796964665298 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0485,0.25177073 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.04849 -5.04849 -5.04849] (Cartesian), [-0.99999168 -0.99999168 -0.99999168] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.048532008404622,0.25177905105786813 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.048532008404622,0.25177905105786813 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 0.004362021677670038 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0494,0.25184144 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0494 -5.0494 -5.0494] (Cartesian), [-0.99999908 -0.99999908 -0.99999908] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.049404641864247,0.25184235827079804 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.049404641864247,0.25184235827079804 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 0.00436457462274085 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.051,0.25198883 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.187e-06 -5.187e-06 -5.187e-06] (Cartesian), [-1.026928e-06 -1.026928e-06 -1.026928e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.050987032511163,0.2519878064057699 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.050987032511163,0.2519878064057699 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 0.004364886235199051 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0514,0.25200682 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.36433e-05 -1.36433e-05 -1.36433e-05] (Cartesian), [-2.70091304e-06 -2.70091304e-06 -2.70091304e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.051365891746304,0.2520041233743917 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.051365891746304,0.2520041233743917 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 0.004365198840056312 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0517,0.25202487 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05168 -5.05168 -5.05168] (Cartesian), [-0.99998698 -0.99998698 -0.99998698] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.051745790651417,0.25203789588685854 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.051745790651417,0.25203789588685854 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 0.004365512620245241 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0521,0.25204299 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05209 -5.05209 -5.05209] (Cartesian), [-0.99999269 -0.99999269 -0.99999269] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.052126906121665,0.2520502937111666 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.052126906121665,0.2520502937111666 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 0.004365827764407503 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0525,0.25206118 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0525 -5.0525 -5.0525] (Cartesian), [-0.99999813 -0.99999813 -0.99999813] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.052509433296351,0.2520630505533301 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.052509433296351,0.2520630505533301 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 0.004366144473613507 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0529,0.25207947 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.5678e-06 -2.5678e-06 -2.5678e-06] (Cartesian), [-5.08184065e-07 -5.08184065e-07 -5.08184065e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0528935804979955,0.25207896053209433 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0528935804979955,0.25207896053209433 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 0.004366462963290478 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0533,0.25209786 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.1716e-06 -8.1716e-06 -8.1716e-06] (Cartesian), [-1.61708844e-06 -1.61708844e-06 -1.61708844e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.053279570997688,0.2520962396377884 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.053279570997688,0.2520962396377884 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 0.004366783464780284 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0537,0.25211636 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.29421e-05 -1.29421e-05 -1.29421e-05] (Cartesian), [-2.56093216e-06 -2.56093216e-06 -2.56093216e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.053667644719533,0.2521137999562135 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.053667644719533,0.2521137999562135 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 0.004367106227172831 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0541,0.252135 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.67759e-05 -1.67759e-05 -1.67759e-05] (Cartesian), [-3.31929309e-06 -3.31929309e-06 -3.31929309e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.054058060267331,0.25213167629070554 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.054058060267331,0.25213167629070554 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 0.004367431519666155 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0545,0.25215378 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.9561e-05 -1.9561e-05 -1.9561e-05] (Cartesian), [-3.87005426e-06 -3.87005426e-06 -3.87005426e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.054451097447441,0.2521499063003956 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.054451097447441,0.2521499063003956 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 0.004367759634342296 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0548,0.25217272 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05478 -5.05478 -5.05478] (Cartesian), [-0.99998673 -0.99998673 -0.99998673] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0548470602924045,0.25218598659673463 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0548470602924045,0.25218598659673463 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 0.004368090889597437 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0552,0.25219185 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05518 -5.05518 -5.05518] (Cartesian), [-0.99998689 -0.99998689 -0.99998689] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.055246280750677,0.252204956375629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.055246280750677,0.252204956375629 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 0.004368425634329695 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0556,0.25221117 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05558 -5.05558 -5.05558] (Cartesian), [-0.99998633 -0.99998633 -0.99998633] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.055649123213844,0.2522248440620847 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.055649123213844,0.2522248440620847 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 0.0043687642530453675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0561,0.25223072 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.7604e-05 -1.7604e-05 -1.7604e-05] (Cartesian), [-3.48176524e-06 -3.48176524e-06 -3.48176524e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.056055990071819,0.25222723998693963 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.056055990071819,0.25222723998693963 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 0.004369107172207796 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0565,0.25225052 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.30685e-05 -1.30685e-05 -1.30685e-05] (Cartesian), [-2.5845119e-06 -2.5845119e-06 -2.5845119e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.056467328626268,0.25224793568735016 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.056467328626268,0.25224793568735016 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 0.004369454868182728 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0569,0.25227059 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.5441e-06 -6.5441e-06 -6.5441e-06] (Cartesian), [-1.29409741e-06 -1.29409741e-06 -1.29409741e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.05688363975479,0.25226930033832007 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.05688363975479,0.25226930033832007 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 0.004369807877157712 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0573,0.25229098 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0573 -5.0573 -5.0573] (Cartesian), [-0.99999891 -0.99999891 -0.99999891] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.05730548881579,0.2522920607425514 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.05730548881579,0.2522920607425514 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 0.004370166807772149 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0577,0.2523117 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05769 -5.05769 -5.05769] (Cartesian), [-0.9999914 -0.9999914 -0.9999914] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.057733519573228,0.25232030284742124 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.057733519573228,0.25232030284742124 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 0.004370532358495476 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0582,0.2523328 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.26109e-05 -1.26109e-05 -1.26109e-05] (Cartesian), [-2.49317516e-06 -2.49317516e-06 -2.49317516e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.058168472835377,0.2523303101927761 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.058168472835377,0.2523303101927761 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 0.004370905339136205 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0586,0.25235434 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0586 -5.0586 -5.0586] (Cartesian), [-0.99999778 -0.99999778 -0.99999778] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.058611210211864,0.25235655348039154 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.058611210211864,0.25235655348039154 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 0.0043712867000241604 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0591,0.25237636 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.49015e-05 -1.49015e-05 -1.49015e-05] (Cartesian), [-2.94550606e-06 -2.94550606e-06 -2.94550606e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.059062746127513,0.2523734097903376 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.059062746127513,0.2523734097903376 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 0.004371677571775948 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0595,0.25239892 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.05949 -5.05949 -5.05949] (Cartesian), [-0.99999322 -0.99999322 -0.99999322] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.059524291429366,0.25240569988702477 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.059524291429366,0.25240569988702477 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 0.004372079320600361 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.06,0.25242212 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.07436e-06 -1.07436e-06 -1.07436e-06] (Cartesian), [-2.12324223e-07 -2.12324223e-07 -2.12324223e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.059997314087739,0.25242190494248207 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.059997314087739,0.25242190494248207 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 0.004372493627179878 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0605,0.25244604 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.5497e-06 -6.5497e-06 -6.5497e-06] (Cartesian), [-1.29428341e-06 -1.29428341e-06 -1.29428341e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.060483625741438,0.25244474298481645 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.060483625741438,0.25244474298481645 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 0.004372922602584712 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.061,0.2524708 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.79642e-06 -5.79642e-06 -5.79642e-06] (Cartesian), [-1.14531448e-06 -1.14531448e-06 -1.14531448e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.0609855089549285,0.25246965886028905 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0609855089549285,0.25246965886028905 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 0.004373368964798249 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0615,0.25249657 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0615 -5.0615 -5.0615] (Cartesian), [-0.99999883 -0.99999883 -0.99999883] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.061505911050041,0.2524977427533306 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.061505911050041,0.2524977427533306 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 0.004373836319119541 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.062,0.25252356 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.06198 -5.06198 -5.06198] (Cartesian), [-0.99998642 -0.99998642 -0.99998642] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.062048752277411,0.25253713953090706 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.062048752277411,0.25253713953090706 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 0.00437432962953044 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0626,0.25255204 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.06259 -5.06259 -5.06259] (Cartesian), [-0.99999418 -0.99999418 -0.99999418] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.062619443913918,0.2525578548578995 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 1. 0.] [-1. 0. 0.] [ 0. 0. -1.]] 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 AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.062619443913918,0.2525578548578995 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 0.004374856068582062 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0632,0.25258243 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.06319 -5.06319 -5.06319] (Cartesian), [-0.99999293 -0.99999293 -0.99999293] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.063225822229425,0.2525895078677549 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.063225822229425,0.2525895078677549 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 0.004375426799433314 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0639,0.25261538 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.98171e-06 -7.98171e-06 -7.98171e-06] (Cartesian), [-1.5762044e-06 -1.5762044e-06 -1.5762044e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.063880045726608,0.25261380784283793 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.063880045726608,0.25261380784283793 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 0.0043760604489679975 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0646,0.25265197 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.0646 -5.0646 -5.0646] (Cartesian), [-0.99999949 -0.99999949 -0.99999949] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.064602607494214,0.25265248266693185 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.064602607494214,0.25265248266693185 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 0.004376793951294016 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0654,0.25269432 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.06539 -5.06539 -5.06539] (Cartesian), [-0.99999131 -0.99999131 -0.99999131] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.065434016161907,0.25270300611113217 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.065434016161907,0.25270300611113217 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 0.004377724093171281 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.0665,0.25274802 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.77409e-06 -7.77409e-06 -7.77409e-06] (Cartesian), [-1.53441623e-06 -1.53441623e-06 -1.53441623e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.06648056476513,0.25274648394680965 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1. 0. 0.] [ 0. 0. -1.] [ 0. -1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, -1.0], [0.0, -1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.06648056476513,0.25274648394680965 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 0.004384381022877284 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.075,0.25313236 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.75228e-05 -1.75228e-05 -1.75228e-05] (Cartesian), [-3.45279828e-06 -3.45279828e-06 -3.45279828e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.074956193091216,0.25312890358053464 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1. 0. 0.] [0. 0. 1.] [0. 1. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.074956193091216,0.25312890358053464 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 0.004702271327962745 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.6264,0.27148576 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.77029e-05 -1.77029e-05 -1.77029e-05] (Cartesian), [-3.14642387e-06 -3.14642387e-06 -3.14642387e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --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=AB4_cP5_215_a_e --params=5.626355742794398,0.27148261527632944 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 0. 0. 1.] [ 0. -1. 0.] [-1. 0. 0.]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, 0.0, 1.0], [0.0, -1.0, 0.0], [-1.0, 0.0, 0.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_cP5_215_a_e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --params=5.626355742794398,0.27148261527632944 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_cP5_215_a_e --parameter_symbols_only