{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.323476 ] [ 0 0.25 0.176524 ] [ 0.5 0.25 0.676524 ] [ 0 0.75 0.823476 ] [ 0.728683 0.081255 0.380638 ] [ 0.228683 0.918745 0.119362 ] [ 0.771317 0.581255 0.119362 ] [ 0.271317 0.418745 0.380638 ] [ 0.728683 0.581255 0.619362 ] [ 0.228683 0.418745 0.880638 ] [ 0.771317 0.081255 0.880638 ] [ 0.271317 0.918745 0.619362 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.58538821 "source-unit" "angstrom" } "b" { "source-value" 4.93503511 "source-unit" "angstrom" } "c" { "source-value" 5.58117108 "source-unit" "angstrom" } }