{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.704154 0 ] [ 0.5 0.5 0.838151 ] [ 0 0.295846 0 ] [ 0.5 0.5 0.161849 ] [ 0.5 0.204154 0.5 ] [ 0 0 0.338151 ] [ 0.5 0.795846 0.5 ] [ 0 0 0.661849 ] [ 0.5 0.5 0.038176 ] [ 0.5 0.5 0.961824 ] [ 0 0 0.538176 ] [ 0 0 0.461824 ] [ 0 0.774338 0.164635 ] [ 0 0.225662 0.164635 ] [ 0 0.774338 0.835365 ] [ 0 0.225662 0.835365 ] [ 0.5 0 0 ] [ 0.5 0.274338 0.664635 ] [ 0.5 0.725662 0.664635 ] [ 0.5 0.274338 0.335365 ] [ 0.5 0.725662 0.335365 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "Br" "Br" "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" 4.04925399575 "source-unit" "angstrom" } "b" { "source-value" 8.36672332711 "source-unit" "angstrom" } "c" { "source-value" 18.6091960301 "source-unit" "angstrom" } }