{ "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 0.244805 0.75 ] [ 0.5 0.755195 0.25 ] [ 0 0.744805 0.75 ] [ 0 0.255195 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.0802 0.75 ] [ 0 0.9198 0.25 ] [ 0.5 0.858024 0.547361 ] [ 0.5 0.141976 0.452639 ] [ 0.5 0.858024 0.952639 ] [ 0.5 0.141976 0.047361 ] [ 0.5 0.5802 0.75 ] [ 0.5 0.4198 0.25 ] [ 0 0.358024 0.547361 ] [ 0 0.641976 0.452639 ] [ 0 0.358024 0.952639 ] [ 0 0.641976 0.047361 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 3.78694112 "source-unit" "angstrom" } "b" { "source-value" 12.40373753 "source-unit" "angstrom" } "c" { "source-value" 9.42174512 "source-unit" "angstrom" } }