{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.699602 0 0.530827 ] [ 0.173336 0.69333 0.179803 ] [ 0.826664 0.30667 0.820197 ] [ 0.996286 0.825249 0.694645 ] [ 0.003714 0.825249 0.305355 ] [ 0.29967 0 0.130532 ] [ 0.996286 0.174751 0.694645 ] [ 0.003714 0.174751 0.305355 ] [ 0.173336 0.30667 0.179803 ] [ 0.826664 0.69333 0.820197 ] [ 0.70033 0 0.869468 ] [ 0.300398 0 0.469173 ] [ 0.199602 0.5 0.530827 ] [ 0.673336 0.19333 0.179803 ] [ 0.326664 0.80667 0.820197 ] [ 0.496286 0.325249 0.694645 ] [ 0.503714 0.325249 0.305355 ] [ 0.79967 0.5 0.130532 ] [ 0.496286 0.674751 0.694645 ] [ 0.503714 0.674751 0.305355 ] [ 0.673336 0.80667 0.179803 ] [ 0.326664 0.19333 0.820197 ] [ 0.20033 0.5 0.869468 ] [ 0.800398 0.5 0.469173 ] ] } "species" { "source-value" [ "Gd" "Gd" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "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" 10.6396353021 "source-unit" "angstrom" } "b" { "source-value" 7.31171240679 "source-unit" "angstrom" } "c" { "source-value" 7.63470850886 "source-unit" "angstrom" } "beta" { "source-value" 136.656972151 "source-unit" "degree" } }