{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.241389 0.25 ] [ 0.5 0.758611 0.75 ] [ 0 0.741389 0.25 ] [ 0 0.258611 0.75 ] [ 0.5 0.844977 0.433248 ] [ 0.5 0.155023 0.566752 ] [ 0 0.905394 0.75 ] [ 0 0.094606 0.25 ] [ 0.5 0.844977 0.066752 ] [ 0.5 0.155023 0.933248 ] [ 0 0.344977 0.433248 ] [ 0 0.655023 0.566752 ] [ 0.5 0.405394 0.75 ] [ 0.5 0.594606 0.25 ] [ 0 0.344977 0.066752 ] [ 0 0.655023 0.933248 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44717822 "source-unit" "angstrom" } "b" { "source-value" 15.62177572 "source-unit" "angstrom" } "c" { "source-value" 10.16318123 "source-unit" "angstrom" } }