{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.450458 0.167343 ] [ 0.75 0.549542 0.832657 ] [ 0.75 0.950458 0.332657 ] [ 0.25 0.049542 0.667343 ] [ 0.25 0.55303 0.631904 ] [ 0.75 0.44697 0.368096 ] [ 0.75 0.05303 0.868096 ] [ 0.25 0.94697 0.131904 ] [ 0.25 0.73278 0.431336 ] [ 0.75 0.26722 0.568664 ] [ 0.75 0.23278 0.068664 ] [ 0.25 0.76722 0.931336 ] [ 0.25 0.374344 0.83287 ] [ 0.75 0.625656 0.16713 ] [ 0.75 0.874344 0.66713 ] [ 0.25 0.125656 0.33287 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "I" "I" "I" "I" "I" "I" "I" "I" "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" 6.96653659 "source-unit" "angstrom" } "b" { "source-value" 10.01355852 "source-unit" "angstrom" } "c" { "source-value" 11.09661857 "source-unit" "angstrom" } }