{ "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" [ [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.229672 0 ] [ 0 0.770328 0 ] [ 0.782242 0 0.5 ] [ 0.217758 0 0.5 ] [ 0.5 0.729672 0 ] [ 0.5 0.270328 0 ] [ 0.282242 0.5 0.5 ] [ 0.717758 0.5 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.19833093 "source-unit" "angstrom" } "b" { "source-value" 11.39971598 "source-unit" "angstrom" } "c" { "source-value" 3.8714093 "source-unit" "angstrom" } }