{ "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 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.985182 0.25 ] [ 0.5 0.014818 0.75 ] [ 0 0.485182 0.25 ] [ 0 0.514818 0.75 ] [ 0 0.100907 0.150115 ] [ 0 0.100907 0.349885 ] [ 0.5 0.886355 0.074572 ] [ 0 0.16443 0.75 ] [ 0.5 0.886355 0.425428 ] [ 0.5 0.113645 0.574572 ] [ 0.5 0.113645 0.925428 ] [ 0 0.83557 0.25 ] [ 0 0.899093 0.650115 ] [ 0 0.899093 0.849885 ] [ 0.5 0.600907 0.150115 ] [ 0.5 0.600907 0.349885 ] [ 0 0.386355 0.074572 ] [ 0.5 0.66443 0.75 ] [ 0 0.386355 0.425428 ] [ 0 0.613645 0.574572 ] [ 0 0.613645 0.925428 ] [ 0.5 0.33557 0.25 ] [ 0.5 0.399093 0.650115 ] [ 0.5 0.399093 0.849885 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "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" 4.47549137 "source-unit" "angstrom" } "b" { "source-value" 14.91005696 "source-unit" "angstrom" } "c" { "source-value" 18.30985984 "source-unit" "angstrom" } }