{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.190885 0.472873 0.057204 ] [ 0.649272 0.998803 0.670651 ] [ 0.809115 0.972873 0.442796 ] [ 0.649272 0.501197 0.170651 ] [ 0.350728 0.498803 0.829349 ] [ 0.190885 0.027127 0.557204 ] [ 0.350728 0.001197 0.329349 ] [ 0.809115 0.527127 0.942796 ] [ 0.007779 0.730461 0.945243 ] [ 0.36202 0.197456 0.170452 ] [ 0.735142 0.336292 0.752079 ] [ 0.589788 0.148598 0.458364 ] [ 0.410212 0.648598 0.041636 ] [ 0.816674 0.81658 0.626577 ] [ 0.63798 0.697456 0.329548 ] [ 0.992221 0.230461 0.554757 ] [ 0.183326 0.31658 0.873423 ] [ 0.735142 0.163708 0.252079 ] [ 0.264858 0.836292 0.747921 ] [ 0.816674 0.68342 0.126577 ] [ 0.007779 0.769539 0.445243 ] [ 0.36202 0.302544 0.670452 ] [ 0.183326 0.18342 0.373423 ] [ 0.589788 0.351402 0.958364 ] [ 0.410212 0.851402 0.541636 ] [ 0.264858 0.663708 0.247921 ] [ 0.63798 0.802544 0.829548 ] [ 0.992221 0.269539 0.054757 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.57722466 "source-unit" "angstrom" } "b" { "source-value" 5.109209 "source-unit" "angstrom" } "c" { "source-value" 10.28202326 "source-unit" "angstrom" } "beta" { "source-value" 115.81605122 "source-unit" "degree" } }