{ "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" [ [ 0.5 0 0.922087 ] [ 0 0.5 0.077913 ] [ 0 0 0.688513 ] [ 0.5 0.5 0.311487 ] [ 0.5 0.5 0.93466 ] [ 0 0 0.06534 ] ] } "species" { "source-value" [ "Ti" "Ti" "Br" "Br" "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" 3.38710561 "source-unit" "angstrom" } "b" { "source-value" 4.04789064 "source-unit" "angstrom" } "c" { "source-value" 8.40861265 "source-unit" "angstrom" } }