{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2ce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.500335 0.5 ] [ 0 0.000335 0 ] [ 0.5 0.000335 0.5 ] [ 0.5 0.500335 0 ] [ 0.647392 0.117833 0.635931 ] [ 0.352608 0.117833 0.364069 ] [ 0.852608 0.117833 0.135931 ] [ 0.147392 0.117833 0.864069 ] [ 0.147392 0.617833 0.635931 ] [ 0.852608 0.617833 0.364069 ] [ 0.352608 0.617833 0.135931 ] [ 0.647392 0.617833 0.864069 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "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" 6.10278937581 "source-unit" "angstrom" } "b" { "source-value" 6.43448320907 "source-unit" "angstrom" } "c" { "source-value" 6.26650151 "source-unit" "angstrom" } }