{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.091747 ] [ 0.5 0 0.908253 ] [ 0.5 0.5 0.954611 ] [ 0 0 0.045389 ] [ 0 0 0.6891 ] [ 0.5 0.5 0.3109 ] ] } "species" { "source-value" [ "Ti" "Ti" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.27536012 "source-unit" "angstrom" } "b" { "source-value" 3.96668781 "source-unit" "angstrom" } "c" { "source-value" 8.40248673 "source-unit" "angstrom" } }