{ "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" [ [ 0.161638 0.843779 0.25 ] [ 0.838362 0.156221 0.75 ] [ 0.838362 0.843779 0.75 ] [ 0.161638 0.156221 0.25 ] [ 0.661638 0.343779 0.25 ] [ 0.338362 0.656221 0.75 ] [ 0.338362 0.343779 0.75 ] [ 0.661638 0.656221 0.25 ] [ 0.421798 0 0.75 ] [ 0.578202 0 0.25 ] [ 0.921798 0.5 0.75 ] [ 0.078202 0.5 0.25 ] [ 0 0.37353 0.5 ] [ 0 0.62647 0 ] [ 0.176893 0 0.75 ] [ 0.823107 0 0.25 ] [ 0 0.37353 0 ] [ 0 0.62647 0.5 ] [ 0.5 0.87353 0.5 ] [ 0.5 0.12647 0 ] [ 0.676893 0.5 0.75 ] [ 0.323107 0.5 0.25 ] [ 0.5 0.87353 0 ] [ 0.5 0.12647 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ti" "Ti" "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" 9.14938046479 "source-unit" "angstrom" } "b" { "source-value" 12.7926294682 "source-unit" "angstrom" } "c" { "source-value" 6.58854695 "source-unit" "angstrom" } }