{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.208986 0 0.5 ] [ 0.208986 0 0 ] [ 0.167152 0.688906 0.25 ] [ 0.167152 0.311094 0.75 ] [ 0.708986 0.5 0.5 ] [ 0.708986 0.5 0 ] [ 0.667152 0.188906 0.25 ] [ 0.667152 0.811094 0.75 ] [ 0.179659 0.276697 0.25 ] [ 0.179659 0.723303 0.75 ] [ 0.679659 0.776697 0.25 ] [ 0.679659 0.223303 0.75 ] [ 0.873728 0.771346 0.443466 ] [ 0.873728 0.228654 0.556534 ] [ 0.873728 0.771346 0.056534 ] [ 0.873728 0.228654 0.943466 ] [ 0.944222 0.43778 0.25 ] [ 0.944222 0.56222 0.75 ] [ 0.023157 0.928719 0.75 ] [ 0.023157 0.071281 0.25 ] [ 0.373728 0.271346 0.443466 ] [ 0.373728 0.728654 0.556534 ] [ 0.373728 0.271346 0.056534 ] [ 0.373728 0.728654 0.943466 ] [ 0.444222 0.93778 0.25 ] [ 0.444222 0.06222 0.75 ] [ 0.523157 0.428719 0.75 ] [ 0.523157 0.571281 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 7.32276882051 "source-unit" "angstrom" } "b" { "source-value" 10.5228765881 "source-unit" "angstrom" } "c" { "source-value" 10.1159993 "source-unit" "angstrom" } }