{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pca2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.014929 0.053901 0.5754 ] [ 0.985071 0.946099 0.0754 ] [ 0.485071 0.053901 0.0754 ] [ 0.514929 0.946099 0.5754 ] [ 0.684853 0.796651 0.856837 ] [ 0.315147 0.203349 0.356837 ] [ 0.184853 0.203349 0.856837 ] [ 0.815147 0.796651 0.356837 ] [ 0.824746 0.269295 0.079733 ] [ 0.675254 0.269295 0.579733 ] [ 0.324746 0.730705 0.079733 ] [ 0.175254 0.730705 0.579733 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "As" "As" "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" 4.8460414482 "source-unit" "angstrom" } "b" { "source-value" 6.35961667208 "source-unit" "angstrom" } "c" { "source-value" 7.15154330666 "source-unit" "angstrom" } }