{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.762084 0 0.5 ] [ 0.237916 0 0.5 ] [ 0 0.24137 0 ] [ 0 0.75863 0 ] [ 0.262084 0.5 0.5 ] [ 0.737916 0.5 0.5 ] [ 0.5 0.74137 0 ] [ 0.5 0.25863 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mg" "Mg" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8605904 "source-unit" "angstrom" } "b" { "source-value" 11.13824145 "source-unit" "angstrom" } "c" { "source-value" 3.89053843 "source-unit" "angstrom" } }